4-Aminoquinazoline

HCID 84759

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 15018-66-3
Standard SMILES: Nc1ncnc2ccccc12
InChIKey: DRYRBWIFRVMRPV-UHFFFAOYSA-N
Molecular formula: C8H7N3
Average molar mass: 145.16 g/mol
Monoisotopic mass: 145.06399722

Overview

structure in first source

Names & identifiers

Preferred name: 4-Aminoquinazoline
IUPAC: quinazolin-4-amine
English name: Quinazolin-4-ylamine
Molecular formula: C8H7N3
Molecular weight: 145.16

Names & synonyms

4-AminoquinazolineRefChem:526687quinazolin-4-ylaminequinazolin-4-amine15018-66-34-QuinazolinamineQuinazoline, 4-amino-4-QuinazolineamineMFCD00092016SCHEMBL1425134-Quinazolinamine, AldrichCPRSCHEMBL9375368

Show more names

Quizolin-4-ylamineQuinazoline-4-amine4-QUINAZOLINYLAMINE

BDBM50228495CS-W008984NSC 288012quinazoline-4-ylamineEN300-798741LQ4-amino quinazolineNSC288012

Database identifiers

CAS: 15018-66-3
PubChem CID: 84759
DTXSID: DTXSID90164488
ChEMBL: CHEMBL266128
EC Number: 675-065-7
Nikkaji: J285.040K

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 137

Experimental & physicochemical properties

LogP1.28

Physicochemical properties

Melting point: 274 · 274-275℃
Boiling point: 328.3 · 328.3±17.0 °C(Predicted)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
RTECS: 1236000 · VA1236000
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Solid
pka: 5.86 · 5.86±0.30(Predicted)
EWG's Food Scores: 1 · 1
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H318
Precautionary statements: 280 · P280-P301+P310-P305+P351+P338
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
RIDADR: 2811 · 2811
HazardClass: IRRITANT
PackingGroup: Ⅲ
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (80%): 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 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.