1-Methyl-1H-indol-5-amine

C₉H₁₀N₂CAS 102308-97-4146.19 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₉H₁₀N₂
Molar mass: 146.19 g/mol
Exact mass: 146.0844 Da
Melting point: 100–101.5 °C
Boiling point: 143–144 °C (at 2 Torr)
logP: 1.76Crippen estimate
Polar surface area: 30.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed25% of notifiers
H302 Harmful if swallowed50% of notifiers
H311 Toxic in contact with skin25% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H331 Toxic if inhaled25% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

102308-97-4

SMILES

Cn1ccc2cc(N)ccc21

InChIKey

PGTSGPCXPIFQEL-UHFFFAOYSA-N

InChI

InChI=1S/C9H10N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,10H2,1H3

Weigh it out

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

Names and synonyms

10 names

1H-Indol-5-amine, 1-methyl-
Indole, 5-amino-1-methyl-
1-Methyl-5-aminoindole
2-Methyl-5-amino-1H-indole
(1-Methylindol-5-yl)amine
1-Methyl-5-amino-1H-indole
5-Amino-1-methylindole
5-Amino-1-methyl-1H-indole
1-Methylindol-5-amine
N-(1-Methyl-1H-indol-5-yl)amine

Work with 1-Methyl-1H-indol-5-amine

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

5-Bromo-1-methyl-1H-indole10075-52-256 % similar 1-Methylindole603-76-950 % similar 1-Methyl-1H-indazol-5-amine50593-24-349 % similar 4-Amino-1-methylpyridin-2(1H)-one952182-01-348 % similar 1-Methyl-1H-indole-5-carboxylic acid186129-25-947 % similar 1-Methyl-5-nitro-1H-indole29906-67-047 % similar 1-Methyl-1H-benzimidazol-6-amine26530-93-844 % similar 1,1-Dimethylethyl 5-amino-1H-indole-1-carboxylate166104-20-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Phenylamino)propanenitrile1075-76-9 4-(Dimethylamino)benzonitrile1197-19-9 4-Amino-3-ethylbenzonitrile170230-87-2 2-Ethylbenzimidazole1848-84-6 Dipyrrylmethane21211-65-4 (1H-Indol-4-yl)methanamine3468-18-6 Myosmine532-12-7 5,6-Dimethylbenzimidazole582-60-5

Elsewhere

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