Gramine

C₁₁H₁₄N₂CAS 87-52-5174.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₄N₂
Molar mass: 174.25 g/mol
Exact mass: 174.1157 Da
Melting point: 138.5 °C
logP: 2.23Crippen estimate
Polar surface area: 19.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage93.8% of notifiers
H318 Causes serious eye damage90.6% of notifiers

Aggregated from 32 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

87-52-5

SMILES

CN(C)Cc1c[nH]c2ccccc12

InChIKey

OCDGBSUVYYVKQZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all

1H-Indole-3-methanamine, N,N-dimethyl-
Indole, 3-[(dimethylamino)methyl]-
N,N-Dimethyl-1H-indole-3-methanamine
β-(Dimethylaminomethyl)indole
Donaxine
Gramin
3-[(Dimethylamino)methyl]indole
Donaxin
N,N-Dimethyl-1H-indole-3-methylamine
3-(N,N-Dimethylaminomethyl)indole
NSC 16892
3-[(Dimethylamino)methyl]-1H-indole
[(1H-Indol-3-yl)methyl]dimethylamine
1-(1H-Indol-3-yl)-N,N-dimethylmethanamine

Work with Gramine

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

N,N-Dimethyl-1-(6-methyl-1H-indol-3-yl)methanamine35998-04-061 % similar 3,3′-Diindolylmethane1968-05-460 % similar 5-Fluoro-N,N-dimethyl-1H-indole-3-methanamine343-90-859 % similar 6-Fluorogramine343-93-159 % similar 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-358 % similar N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine1453-97-057 % similar Indole-3-carbinol700-06-155 % similar 3-(2-Bromoethyl)indole3389-21-753 % similar

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

Same formula

3-(Ethylphenylamino)propanenitrile148-87-8 5-Methyltryptamine1821-47-2 2-Methyltryptamine2731-06-8 (+-)-Alpha-Methyltryptamine299-26-3 Methyltryptamine61-49-4

Elsewhere

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