5-Methylbenzoxazole-2-methanamine - CAS 944897-59-0

Catalog:	BB041353
Product Name:	5-Methylbenzoxazole-2-methanamine
CAS:	944897-59-0
Synonyms:	(5-methyl-1,3-benzoxazol-2-yl)methanamine; (5-methyl-1,3-benzoxazol-2-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(5-methyl-1,3-benzoxazol-2-yl)methanamine
Description:	5-Methylbenzoxazole-2-methanamine (CAS# 944897-59-0) is a useful research chemical compound.
Molecular Weight:	162.19
Molecular Formula:	C9H10N2O
Canonical SMILES:	CC1=CC2=C(C=C1)OC(=N2)CN
InChI:	InChI=1S/C9H10N2O/c1-6-2-3-8-7(4-6)11-9(5-10)12-8/h2-4H,5,10H2,1H3
InChI Key:	CAMYACYQXPBFRW-UHFFFAOYSA-N
LogP:	3.09720

Publication Number	Title	Priority Date
US-2009048277-A1	Pyridopyrimidone derivatives, preparation thereof, therapeutic use thereof	20060113
US-7842806-B2	Pyridopyrimidone derivatives, preparation thereof, therapeutic use thereof	20060113
WO-2007080324-A2	Pyridopyrimidone derivatives, preparation thereof, therapeutic use thereof	20060113
EP-2020410-A1	Pyrido[2,3d]pyrimidine derivatives, process for their preparation and their therapeutical use	20050701
US-2008176874-A1	Derivatives of Pyrido[2,3-d]pyrimidine, the Preparation Thereof, and the Therapeutic Application of the Same	20050701

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.079312947
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.079312947
Rotatable Bond Count:	1
Topological Polar Surface Area:	52
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1