4-(Aminomethyl)pyrimidine - CAS 45588-79-2

Catalog:	BB025937
Product Name:	4-(Aminomethyl)pyrimidine
CAS:	45588-79-2
Synonyms:	4-pyrimidinylmethanamine; pyrimidin-4-ylmethanamine

Technical Data

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Computed Properties

IUPAC Name:	pyrimidin-4-ylmethanamine
Description:	4-(Aminomethyl)pyrimidine (CAS# 45588-79-2) is a useful research chemical.
Molecular Weight:	109.13
Molecular Formula:	C5H7N3
Canonical SMILES:	C1=CN=CN=C1CN
InChI:	InChI=1S/C5H7N3/c6-3-5-1-2-7-4-8-5/h1-2,4H,3,6H2
InChI Key:	AUHXBTKGPUVFCB-UHFFFAOYSA-N
Boiling Point:	224.323 °C at 760 mmHg
Density:	1.138 g/cm³
LogP:	0.63560

Publication Number	Title	Priority Date
WO-2020205683-A1	Benzopyrane and imidazole derivatives useful for the stabilization of amyloidogenic immunoglobulin light chains	20190329
WO-2020123674-A1	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
TW-202035359-A	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
EP-3893645-A1	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
KR-20210102942-A	Substituted arylmethylureas and heteroarylmethylureas, analogs thereof, and methods of use thereof	20181212

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GHS Hazard Statement:	H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	64.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.063997236
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	109.063997236
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.3