2,3-dimethyl-1H-indol-5-amine

HCID 258688

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Basic information

CAS: 16712-58-6
Standard SMILES: Cc1[nH]c2ccc(N)cc2c1C
InChIKey: NEFAZJJIHDDXKM-UHFFFAOYSA-N
Molecular formula: C10H12N2
Average molar mass: 160.22 g/mol
Monoisotopic mass: 160.10004838

Names & identifiers

Preferred name: 2,3-dimethyl-1H-indol-5-amine
IUPAC: 2,3-dimethyl-1H-indol-5-amine
English name: 5-AMINO-2,3-DIMETHYLINDOLE
Molecular formula: C10H12N2
Molecular weight: 160.22

Names & synonyms

2,3-dimethyl-1h-indol-5-amineRefChem:442470634-105-316712-58-62,3-Dimethyl-1H-indol-5-ylamine5-Amino-2,3-dimethylindole1H-Indol-5-amine, 2,3-dimethyl-2,3-dimethyl-5-aminoindoleNSC-87951SW4MWX9BD4(2,3-Dimethyl-1H-indol-5-yl)amineIndole, 5-amino-2,3-dimethyl-

Show more names

TIMTEC-BB SBB010427

2,3-dimethylindole-5-ylamineNSC87951UNII-SW4MWX9BD4SCHEMBL4273925-amino-2,3-dimethyl indole1H-Indol-5-amine,3-dimethyl-SCHEMBL29727929DTXSID50293223

Database identifiers

CAS: 16712-58-6
PubChem CID: 258688
DTXSID: DTXSID50293223
UNII: SW4MWX9BD4
EC Number: 634-105-3
Nikkaji: J2.991.706J

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 41.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 169

Physicochemical properties

Melting point: 178 °C · 178 °C
Boiling point: 368.3 · 368.3±37.0 °C(Predicted)
Density: 1.172 · 1.172±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 18.27 · 18.27±0.30(Predicted)
FDA UNII: 4 MWX9BD4 · SW4MWX9BD4
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362