2-Amino-3-chlorobenzyl Alcohol - CAS 61487-25-0

Catalog:	BB031140
Product Name:	2-Amino-3-chlorobenzyl Alcohol
CAS:	61487-25-0
Synonyms:	(2-amino-3-chlorophenyl)methanol; (2-amino-3-chlorophenyl)methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	(2-amino-3-chlorophenyl)methanol
Description:	A useful reactant in the synthesis of CGRP-receptor antagonists and PI3K inhibitors.
Molecular Weight:	157.60
Molecular Formula:	C7H8ClNO
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)N)CO
InChI:	InChI=1S/C7H8ClNO/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4,9H2
InChI Key:	XIHOYQMBAUMKCY-UHFFFAOYSA-N
Boiling Point:	296.283 °C at 760 mmHg
Density:	1.341 g/cm³
MDL:	MFCD13193432
LogP:	1.99570

Publication Number	Title	Priority Date
CN-112876470-A	Method for synthesizing quinazolinone compound under nonmetal catalysis without additive	20191129
AU-2011272853-A1	Heterocyclic compounds and their use as inhibitors of PI3K activity	20100701
CA-2803009-A1	Heterocyclic compounds and their use as inhibitors of pi3k activity	20100701
EP-2588467-A1	Heterocyclic compounds and their use as inhibitors of pi3k activity	20100701
US-2013085131-A1	Heterocyclic compounds and their uses	20100701

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Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.0294416
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	157.0294416
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5