6-Methoxy-4-methyl-8-quinolinamine

HCID 604753

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Basic information

CAS: 57514-21-3
Standard SMILES: COc1cc(N)c2nccc(C)c2c1
InChIKey: RDJFZEIRAQRHJF-UHFFFAOYSA-N
Molecular formula: C11H12N2O
Average molar mass: 188.23 g/mol
Monoisotopic mass: 188.094963

Overview

See also: 4-Methyl-6-(methyloxy)-8-quinolinamine (annotation moved to).

Names & identifiers

Preferred name: 6-Methoxy-4-methyl-8-quinolinamine
IUPAC: 6-methoxy-4-methylquinolin-8-amine
English name: 6-METHOXY-4-METHYL-QUINOLIN-8-YLAMINE
Molecular formula: C11H12N2O
Molecular weight: 188.23

Names & synonyms

6-methoxy-4-methylquinolin-8-amine57514-21-36-Methoxy-4-methyl-8-quinolinamineSCHEMBL2932255DTXSID703454754-Methyl-6-methoxy-8-aminoquinoline8-amino-6-methoxy-4-methylquinolineAKOS0063266406-Methoxy-4-methyl-8-quinolinamine #DB-0723238-Quinolinamine, 6-methoxy-4-methyl-6-METHOXY-4-METHYL-QUINOLIN-8-YLAMINE

Database identifiers

CAS: 57514-21-3
PubChem CID: 604753
DTXSID: DTXSID70345475

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 48.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 198

Physicochemical properties

Melting point: 86.5 · 86.5-87.5 °C
Boiling point: 164 · 164-170 °C(Press: 3 Torr)
Density: 1.181 · 1.181±0.06 g/cm3(Predicted)
pka: 4.14 · 4.14±0.13(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 317 · H317-H312-H300-H319
Precautionary statements: 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H317-H312-H300-H319
Precautionary statements: P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501