CAS 18978-78-4 2-Methyl-8-aminoquinoline (HCID 140457)

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Basic information

CAS: 18978-78-4
Standard SMILES: Cc1ccc2cccc(N)c2n1
InChIKey: JHIAOWGCGNMQKA-UHFFFAOYSA-N
Molecular formula: C10H10N2
Average molar mass: 158.2 g/mol
Monoisotopic mass: 158.08439832

Overview

2-methyl-8-quinolinamine is an aminoquinoline.

Names & identifiers

Preferred name: 2-Methyl-8-aminoquinoline
IUPAC: 2-methylquinolin-8-amine
English name: 8-Aminoquinaldine
Molecular formula: C10H10N2
Molecular weight: 158.2

Names & synonyms

8-Aminoquinaldine18978-78-42-methylquinolin-8-amine8-Amino-2-methylquinoline8-Quinolinamine, 2-methyl-2-Methyl-8-aminoquinolineB50L4NE5JUNSC-7944QUINALDINE, 8-AMINO-DTXSID601723982-METHYL-8-QUINOLINEAMINEEC 606-190-7

Show more names

AKOS AUF01701ASISCHEM C75211AKOS BBS-00001936IFLAB-BB F1716-0336TIMTEC-BB SBB0104018-AMINO-2-QUINALDINE8-Aminoquinaldine, 98%

NSC 7944(2-METHYLQUINOLIN-8-YL)AMINERefChem:475841DTXCID8094889606-190-72-Methyl-quinolin-8-ylamineMFCD000239982-methyl-8-quinolylamine

Database identifiers

CAS: 18978-78-4
PubChem CID: 140457
DTXSID: DTXSID60172398
ChEMBL: CHEMBL1717263
ChEBI: CHEBI:107285
UNII: B50L4NE5JU

Properties

Computed structural properties

XLogP: 2
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

Solubility19 [ug/mL] (The mean of the results at pH 7.4)

Ionization Efficiency · 6 items

Positive

3.42

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Physicochemical properties

Melting point: 56 · 56-58°C
Boiling point: 316.6 · 316.6±27.0 °C(Predicted)
Density: 1.169 · 1.169±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 1 · pK1: 4.86(+1) (25°C)
color: White to Amber to Dark green
InChI: InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3
InChIKey: JHIAOWGCGNMQKA-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (93.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 111 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 26-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/28195

Hazard Classes and CategoriesAcute Tox. 3 (93.7%)

Safety data

hs_code: 29334900
risk_code: 20/21/22-41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 22-36/37/39-39-26
hazard_class: IRRITANT
Hazard statements: H315-H319
REACH Registrations: Active
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

Uses8-Aminoquinaldine serves as a precursor for synthesizing 8-(toluenesulphonamido)-quinaldine, 8-(di-(2-picolyl)amino)-quinaldine, and N,N'-Bis(2-methyl-8-quinolinyl)-1,2-ethanediamine[1][2].