2-Amino-3-benzyloxypyridine - CAS 24016-03-3

Name: 2-Amino-3-benzyloxypyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018290
Product Name:	2-Amino-3-benzyloxypyridine
CAS:	24016-03-3
Synonyms:	3-phenylmethoxypyridin-2-amine

Technical Data

IUPAC Name:	3-phenylmethoxypyridin-2-amine
Description:	2-Amino-3-benzyloxypyridine (CAS# 24016-03-3) is used in preparation of pyridinyl/pyridazinyloxymethyl substituted Raf kinase inhibitors.
Molecular Weight:	200.24
Molecular Formula:	C12H12N2O
Canonical SMILES:	C1=CC=C(C=C1)COC2=C(N=CC=C2)N
InChI:	InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
InChI Key:	NMCBWICNRJLKKM-UHFFFAOYSA-N
Boiling Point:	342 °C
Melting Point:	94-98 °C
Purity:	98 %
Density:	1.18 g/cm³
Appearance:	Brown crystalline powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00006316
LogP:	2.82400

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
21699136	20110728	Selectivity of kinase inhibitor fragments	Journal of medicinal chemistry
19618939	20090813	Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography	Journal of medicinal chemistry
18406015	20081201	Pharmacophore modeling of diverse classes of p38 MAP kinase inhibitors	European journal of medicinal chemistry
21201817	20080830	3-Benzyl-oxypyridin-2-amine	Acta crystallographica. Section E, Structure reports online
15658855	20050127	Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation	Journal of medicinal chemistry

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.094963011
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.094963011
Rotatable Bond Count:	3
Topological Polar Surface Area:	48.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2