Molecular formula
C62H89CoN13O14P-

SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co]

Fragrance
Odorless	69.61%
Savory	36.13%
Cooling	29.99%
Meaty	28.86%
Roasted	23.68%
Cooked	20.9%
Milky	18.6%
Animal	16.1%
Popcorn	15.36%
Nutty	13.98%

 

Flavor
Bitter	76.34%
Odorless	41.71%
Bland	29.45%
Sweet-like	21.19%
Mild	19.74%
Cedarleaf	19.69%
Taco	19.03%
Nitrile	18.98%
Very mild	18.94%
Roasted peanuts	18.56%

 

Odor impact est.
Low

pKa est.
2.62 (strong acid)

Molecular weight
1330.4 g/mol

Melting point expt.

• > 300

Boiling point

• > 300
• > 300 °C

Flash point

• 285.58 ˚C est.

Solubility expt.

• 12.5 mg/mL
• Soluble in alcohol; insoluble in acetone, chloroform, ether.
• In water, 1,25X10+4 mg/l @ 25 °C

• cob(I)alamin
• cyanocobalamin
• vitamin B12s
• Hydridocobalamin
• Hydrido-Cobalamin
• vitamin B-12s
• CHEBI:15982

Cob(I)alamin is the cobalt center in the +1 oxidation state of cobalamin, considered a highly reactive intermediate and potential catalyst in cobalt‑mediated transformations. In practice, it is often evaluated as a biomimetic cofactor in biocatalysis and organic synthesis, capable of acting as a reducing agent and as a mediator for methyl and alkyl transfer in laboratory-scale reactions, supporting radical- and alkylation-type pathways. It is commonly researched in pharmaceutical and agrochemical synthesis to develop biomimetic cobalt catalysts. It also holds potential in materials science and sensing based on B12-derived compounds, where the cobalt core enables redox-active materials. Finally, cob(I)alamin is used in analytical chemistry and mechanistic studies as a reference system for B12‑dependent transformations. Subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	15.88
methanol	90.66
isopropanol	4.5
water	2.12
ethyl acetate	6.25
n-propanol	7.86
acetone	22.04
n-butanol	3.46
acetonitrile	14.88
DMF	311.28
toluene	0.36
isobutanol	2.84
1,4-dioxane	18.93
methyl acetate	15.38
THF	44.84
2-butanone	11.71
n-pentanol	2.71
sec-butanol	2.62
n-hexane	0.05
ethylene glycol	34.07
NMP	229.08
cyclohexane	0.06
DMSO	162.59
n-butyl acetate	4.03
n-octanol	1.4
chloroform	26.32
n-propyl acetate	6.15
acetic acid	179.5
dichloromethane	23.1
cyclohexanone	11.97
propylene glycol	28.59
isopropyl acetate	2.55
DMAc	158.84
2-ethoxyethanol	37.57
isopentanol	1.62
n-heptane	0.05
ethyl formate	23.31
1,2-dichloroethane	8.52
n-hexanol	1.62
2-methoxyethanol	107.47
isobutyl acetate	2.58
tetrachloromethane	1.88
n-pentyl acetate	4.67
transcutol	29.37
n-heptanol	1.95
ethylbenzene	0.23
MIBK	1.79
2-propoxyethanol	30.8
tert-butanol	2.08
MTBE	0.8
2-butoxyethanol	20.74
propionic acid	25.41
o-xylene	0.21
formic acid	359.49
diethyl ether	1.67
m-xylene	0.18
p-xylene	0.45
chlorobenzene	1.53
dimethyl carbonate	28.79
n-octane	0.04
formamide	247.66
cyclopentanone	45.09
2-pentanone	5.12
anisole	1.88
cyclopentyl methyl ether	2.92
gamma-butyrolactone	104.47
1-methoxy-2-propanol	40.17
pyridine	17.89
3-pentanone	3.97
furfural	119.88
n-dodecane	0.03
diethylene glycol	54.58
diisopropyl ether	0.18
tert-amyl alcohol	1.54
acetylacetone	14.34
n-hexadecane	0.03
acetophenone	4.72
methyl propionate	12.28
isopentyl acetate	2.51
trichloroethylene	32.79
n-nonanol	1.4
cyclohexanol	1.4
benzyl alcohol	4.51
2-ethylhexanol	0.63
isooctanol	1.15
dipropyl ether	1.39
1,2-dichlorobenzene	1.98
ethyl lactate	11.66
propylene carbonate	37.98
n-methylformamide	165.96
2-pentanol	1.01
n-pentane	0.04
1-propoxy-2-propanol	12.96
1-methoxy-2-propyl acetate	8.59
2-(2-methoxypropoxy) propanol	10.82
mesitylene	0.09
ε-caprolactone	17.85
p-cymene	0.17
epichlorohydrin	58.87
1,1,1-trichloroethane	4.27
2-aminoethanol	33.91
morpholine-4-carbaldehyde	157.25
sulfolane	135.32
2,2,4-trimethylpentane	0.02
2-methyltetrahydrofuran	7.14
n-hexyl acetate	3.98
isooctane	0.01
2-(2-butoxyethoxy)ethanol	17.35
sec-butyl acetate	1.95
tert-butyl acetate	1.7
decalin	0.03
glycerin	94.69
diglyme	34.45
acrylic acid	55.97
isopropyl myristate	0.84
n-butyric acid	16.29
acetyl acetate	7.6
di(2-ethylhexyl) phthalate	2.82
ethyl propionate	4.65
nitromethane	312.21
1,2-diethoxyethane	4.19
benzonitrile	4.91
trioctyl phosphate	1.7
1-bromopropane	1.49
gamma-valerolactone	154.24
n-decanol	0.9
triethyl phosphate	2.18
4-methyl-2-pentanol	0.46
propionitrile	6.27
vinylene carbonate	48.27
1,1,2-trichlorotrifluoroethane	120.41
DMS	7.51
cumene	0.16
2-octanol	0.89
2-hexanone	4.54
octyl acetate	1.8
limonene	0.2
1,2-dimethoxyethane	36.76
ethyl orthosilicate	1.58
tributyl phosphate	1.94
diacetone alcohol	6.86
N,N-dimethylaniline	1.42
acrylonitrile	20.11
aniline	2.05
1,3-propanediol	31.69
bromobenzene	1.22
dibromomethane	7.11
1,1,2,2-tetrachloroethane	22.57
2-methyl-cyclohexyl acetate	2.22
tetrabutyl urea	3.63
diisobutyl methanol	0.26
2-phenylethanol	3.64
styrene	0.35
dioctyl adipate	2.3
dimethyl sulfate	61.26
ethyl butyrate	3.0
methyl lactate	36.32
butyl lactate	10.23
diethyl carbonate	2.96
propanediol butyl ether	22.3
triethyl orthoformate	2.87
p-tert-butyltoluene	0.14
methyl 4-tert-butylbenzoate	5.37
morpholine	27.75
tert-butylamine	0.48
n-dodecanol	0.54
dimethoxymethane	61.22
ethylene carbonate	26.22
cyrene	29.27
2-ethoxyethyl acetate	11.37
2-ethylhexyl acetate	1.79
1,2,4-trichlorobenzene	3.73
4-methylpyridine	7.55
dibutyl ether	0.88
2,6-dimethyl-4-heptanol	0.26
DEF	14.14
dimethyl isosorbide	20.08
tetrachloroethylene	12.86
eugenol	10.03
triacetin	9.22
span 80	9.51
1,4-butanediol	12.63
1,1-dichloroethane	5.11
2-methyl-1-pentanol	1.33
methyl formate	153.39
2-methyl-1-butanol	1.74
n-decane	0.06
butyronitrile	3.79
3,7-dimethyl-1-octanol	0.63
1-chlorooctane	0.33
1-chlorotetradecane	0.11
n-nonane	0.05
undecane	0.04
tert-butylcyclohexane	0.02
cyclooctane	0.02
cyclopentanol	5.19
tetrahydropyran	4.47
tert-amyl methyl ether	0.75
2,5,8-trioxanonane	18.41
1-hexene	0.27
2-isopropoxyethanol	12.42
2,2,2-trifluoroethanol	88.57
methyl butyrate	7.68

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