2-Methylquinolin-6-amine

HCID 103148

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 65079-19-8
Standard SMILES: Cc1ccc2cc(N)ccc2n1
InChIKey: TYJFYUVDUUACKX-UHFFFAOYSA-N
Molecular formula: C10H10N2
Average molar mass: 158.2 g/mol
Monoisotopic mass: 158.08439832

Names & identifiers

Preferred name: 2-Methylquinolin-6-amine
IUPAC: 2-methylquinolin-6-amine
English name: 6-Amino-2-methylquinoline
Molecular formula: C10H10N2
Molecular weight: 158.2

Names & synonyms

2-methylquinolin-6-amine6-Amino-2-methylquinoline65079-19-86-Quinolinamine, 2-methyl-DTXSID2070186TYJFYUVDUUACKX-UHFFFAOYSA-RefChem:476258DTXCID4044456672-738-7InChI=1/C10H10N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,11H2,1H36-Aminoquinaldine2-Methyl-6-quinolinamine

Show more names

AKOS BBS-000031142-methyl-6-quinolinamin2-METHYL-QUINOLIN-6-YLAMINE6-Amino-2-methylquinoline,97%6-Amino-2-methylquinoline >

MFCD00052600(2-methyl-6-quinolyl)amine2-Methyl-6-quinolinamine #SMR000283472SCHEMBL116001MLS000687483STK760852AC-26536

Database identifiers

CAS: 65079-19-8
PubChem CID: 103148
DTXSID: DTXSID2070186
ChEMBL: CHEMBL1399676
EC Number: 672-738-7
Nikkaji: J207.960G

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 158

Experimental & physicochemical properties

Solubility>23.7 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 186 · 186-188 °C
Boiling point: 273.29 °C · 273.29°C (rough estimate)
Density: 1.1192 · 1.1192 (rough estimate)
refractive index: 1.6392 · 1.6392 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
pka: 6.47 · 6.47±0.43(Predicted)
color: Light yellow to Yellow to Green
Water Solubility: Soluble in water.
BRN: 114795 · 114795
InChI: InChI=1S/C10H10N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,11H2,1H3
InChIKey: TYJFYUVDUUACKX-UHFFFAOYSA-N
SMILES: N1C2C(=CC(N)=CC=2)C=CC=1C
CAS DataBase Reference: 65079 · 65079-19-8(CAS DataBase Reference)
EPA Substance Registry System: 6 · 6-Quinolinamine, 2-methyl- (65079-19-8)
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 301 · H301-H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 36 · 36/37/39-26-22
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29334900 · 29334900

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)

Safety data

tsca: TSCA listed
hs_code: 29334900
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xn,Xi
safety_code: 36/37/39-26-22
hazard_class: IRRITANT
Hazard statements: H301-H335-H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P301+P310a-P305+P351+P338-P405-P501a