CAS 6628-04-2 4-Amino-2-methylquinoline (HCID 81116)

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Basic information

CAS: 6628-04-2
Standard SMILES: Cc1cc(N)c2ccccc2n1
InChIKey: COCFIBRMFPWUDW-UHFFFAOYSA-N
Molecular formula: C10H10N2
Average molar mass: 158.2 g/mol
Monoisotopic mass: 158.08439832

Overview

used to induce miniature endplate potentials

Names & identifiers

Preferred name: 4-Amino-2-methylquinoline
IUPAC: 2-methylquinolin-4-amine
English name: 4-AMINO-2-METHYLQUINOLINE
Molecular formula: C10H10N2
Molecular weight: 158.2

Names & synonyms

4-Aminoquinaldine6628-04-24-Amino-2-methylquinoline4-Quinolinamine, 2-methyl-4-Quinaldinamine5YZ7028HHHNSC-60281DTXSID50216477RefChem:5266864-AQ(A)DTXCID50138968229-604-4

Show more names

NSC 60281AKOS AUF21044-AMinoquinaldTIMTEC-BB SBB0039925-4-Aminoquinaldine4-Aminoquinaldine,98%LABOTEST-BB LT02084860

2-methylquinolin-4-amine2-Methyl-4-aminoquinoline2-Methyl-4-quinolinamineDequalinium EP Impurity AMFCD00006759(2-methylquinolin-4-yl)amine4-?Aminoquinaldine2-methyl-4-quinolylamine

Database identifiers

CAS: 6628-04-2
PubChem CID: 81116
DTXSID: DTXSID50216477
ChEMBL: CHEMBL595536
UNII: 5YZ7028HHH
EC Number: 229-604-4
Nikkaji: J58.017A

Properties

Computed structural properties

XLogP: 2.2
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

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

Physicochemical properties

Melting point: 162 · 162-166 °C(lit.)
Boiling point: 333 °C · 333 °C(lit.)
Density: 1.1606 · 1.1606 (estimate)
vapor pressure: 0.001 Pa · 0.001Pa at 25℃
refractive index: 1.708 · 1.7080 (estimate)
Flash point: 333 °C · 333°C
storage temp.: 2 · 2-8°C, protect from light
solubility: soluble in Methanol
form: powder to crystal
pka: 9.4 · 9.40±0.50(Predicted)
color: White to Orange to Green
Water Solubility: Soluble in water.
BRN: 118323 · 118323

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (10.4%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.