3-(2-Amino-4,6-dimethylpyrimidin-5-yl)propanoic acid - CAS 842973-02-8

Name: 3-(2-Amino-4,6-dimethylpyrimidin-5-yl)propanoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB048957
Product Name:	3-(2-Amino-4,6-dimethylpyrimidin-5-yl)propanoic acid
CAS:	842973-02-8
Synonyms:	3-(2-Amino-4,6-dimethyl-pyrimidin-5-yl)-propionic acid; 3-(2-amino-4,6-dimethyl-5-pyrimidinyl)propanoic acid; 5-Pyrimidinepropanoic acid, 2-amino-4,6-dimethyl-

Technical Data

IUPAC Name:	3-(2-amino-4,6-dimethylpyrimidin-5-yl)propanoic acid
Description:	3-(2-Amino-4,6-dimethylpyrimidin-5-yl)propanoic acid (CAS# 842973-02-8 ) is a useful research chemical.
Molecular Weight:	195.22
Molecular Formula:	C9H13N3O2
Canonical SMILES:	CC1=C(C(=NC(=N1)N)C)CCC(=O)O
InChI:	InChI=1S/C9H13N3O2/c1-5-7(3-4-8(13)14)6(2)12-9(10)11-5/h3-4H2,1-2H3,(H,13,14)(H2,10,11,12)
InChI Key:	PKIJNCTUEICAOQ-UHFFFAOYSA-N
Boiling Point:	452.6±37.0 °C at 760 mmHg
Purity:	95 %
Density:	1.3±0.1 g/cm³

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.100776666
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	195.100776666
Rotatable Bond Count:	3
Topological Polar Surface Area:	89.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4