Harmine

C₁₃H₁₂N₂OCAS 442-51-3212.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₂N₂O
Molar mass: 212.25 g/mol
Exact mass: 212.0950 Da
Density: 1.35 g/mL
Melting point: 273 °C
logP: 3.03Crippen estimate
Polar surface area: 37.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled37.8% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin93.2% of notifiers
H319 Causes serious eye irritation97.3% of notifiers
H332 Harmful if inhaled98.6% of notifiers

Aggregated from 74 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P501

Identifiers

CAS number

442-51-3

SMILES

COc1ccc2c(c1)[nH]c1c(C)nccc12

InChIKey

BXNJHAXVSOCGBA-UHFFFAOYSA-N

InChI

InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names

9H-Pyrido[3,4-b]indole, 7-methoxy-1-methyl-
7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole
Banisterine
Leucoharmine
1-Methyl-7-methoxy-β-carboline
Telepathine
Yageine
Banisterin
Telepathin
Harmin
Yagein

Work with Harmine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Harmine hydrochloride343-27-192 % similar Harmane486-84-057 % similar 6-Methoxy-4-methylquinoline41037-26-742 % similar 5-Methoxybenzimidazole4887-80-341 % similar 6-Methoxytryptamine3610-36-439 % similar 2-Mercapto-5-methoxybenzimidazole37052-78-138 % similar 5-Methoxy-2-methylindole1076-74-038 % similar 2-Amino-4-methoxypyridine10201-73-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Diphenylurea102-07-8 N-(3-Aminophenyl)benzamide16091-26-2 N-(4-Aminophenyl)benzamide17625-83-1 p-Phenylbenzoic acid hydrazide18622-23-6 4-Methoxyazobenzene2396-60-3 3,4-Diaminobenzophenone39070-63-8 2-Amino-N-phenylbenzamide4424-17-3 3,3′-Diaminobenzophenone611-79-0

Elsewhere

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