2-Methylquinoline-4,6-diamine

HCID 223995

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Basic information

CAS: 5443-31-2
Standard SMILES: Cc1cc(N)c2cc(N)ccc2n1
InChIKey: XKDPIURMGBVXAB-UHFFFAOYSA-N
Molecular formula: C10H11N3
Average molar mass: 173.21 g/mol
Monoisotopic mass: 173.09529735

Names & identifiers

Preferred name: 2-Methylquinoline-4,6-diamine
IUPAC: 2-methylquinoline-4,6-diamine
English name: 4,6-DIAMINO-2-METHYL-QUINOLINE
Molecular formula: C10H11N3
Molecular weight: 173.21

Names & synonyms

2-methylquinoline-4,6-diamineDTXSID90279304RefChem:476261DTXCID30230459831-883-85443-31-24,6-DIAMINO-2-METHYL-QUINOLINEMFCD04118103CHEMBL874524,6-diaminoquinaldine4,6-diamino-2-methylquinoline2-Methyl-quinoline-4,6-diamine

Show more names

2-Methyl-4,6-diaminoquinoline4,6-Quinolinediamine, 2-methyl-(6-amino-2-methyl-4-quinolyl)amine

NSC12158SCHEMBL3235863SCHEMBL6616973XKDPIURMGBVXAB-UHFFFAOYSA-NFAA443314-amino-2-methyl-6-quinolinylamineBDBM50229899NSC-12158

Database identifiers

CAS: 5443-31-2
PubChem CID: 223995
DTXSID: DTXSID90279304
ChEMBL: CHEMBL87452
EC Number: 831-883-8
Nikkaji: J457.368D

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 64.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 183

Physicochemical properties

Melting point: 278 °C · 278 °C (decomp)
Boiling point: 411.7 · 411.7±40.0 °C(Predicted)
Density: 1.258 · 1.258±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 10.06 · 10.06±0.50(Predicted)
color: Pale Orange to Light Brown
Stability: Hygroscopic
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Risk Statements: 20 · 20/21/22
Safety Statements: 22 · 22-36/37/39

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-36/37/39
Hazard statements: H302-H315-H319-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362