2,4-Diaminoquinazoline - CAS 1899-48-5

Catalog:	BB046687
Product Name:	2,4-Diaminoquinazoline
CAS:	1899-48-5
Synonyms:	Quinazolinediamine; (2-aminoquinazolin-4-yl)amine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	quinazoline-2,4-diamine
Description:	2,4-Diaminoquinazoline (CAS# 1899-48-5 ) is a useful research chemical.
Molecular Weight:	160.18
Molecular Formula:	C8H8N4
Canonical SMILES:	C1=CC=C2C(=C1)C(=NC(=N2)N)N
InChI:	InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)
InChI Key:	XELRMPRLCPFTBH-UHFFFAOYSA-N
Boiling Point:	461 °C at 760 mmHg
Melting Point:	254-258 °C
Purity:	≥ 98 %
Density:	1.398 g/cm³
Appearance:	Solid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.074896272
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	160.074896272
Rotatable Bond Count:	0
Topological Polar Surface Area:	77.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1