4-Amino-3-hydroxybenzoic acid - CAS 2374-03-0

Name: 4-Amino-3-hydroxybenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018168
Product Name:	4-Amino-3-hydroxybenzoic acid
CAS:	2374-03-0
Synonyms:	benzoic acid, 4-amino-3-hydroxy-; 3-hydroxy-4-aminobenzoic acid

Technical Data

IUPAC Name:	4-amino-3-hydroxybenzoic acid
Description:	4-Amino-3-hydroxybenzoic acid (CAS# 2374-03-0) is disubsituted benzoic acid used in the preparation of various pharmaceutical compounds such as sphingosine kinase inhibitors.
Molecular Weight:	153.1
Molecular Formula:	C7H7NO3
Canonical SMILES:	C1=CC(=C(C=C1C(=O)O)O)N
InChI:	InChI=1S/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11)
InChI Key:	NFPYJDZQOKCYIE-UHFFFAOYSA-N
Boiling Point:	385.7 °C at 760 mmHg
Melting Point:	211-215 °C (lit.)
Purity:	98.0%
Density:	1.028 g/cm³
Appearance:	Yellowish brown solid
MDL:	MFCD00017094
LogP:	1.25380
Vapor Pressure:	0.000004 [mmHg]

GHS Hazard Statement:	H302 (88.46%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22300888	20120301	Redox potentials, laccase oxidation, and antilarval activities of substituted phenols	Bioorganic & medicinal chemistry
20676084	20100901	A copper-containing oxidase catalyzes C-nitrosation in nitrosobenzamide biosynthesis	Nature chemical biology
19594622	20090901	Gene cloning and characterization of a deaminase from the 4-amino-3-hydroxybenzoate-assimilating Bordetella sp. strain 10d	FEMS microbiology letters
17258462	20070301	3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors	Bioorganic & medicinal chemistry
17090920	20061101	Metabolism of 4-amino-3-hydroxybenzoic acid by Bordetella sp. strain 10d: A different modified meta-cleavage pathway for 2-aminophenols	Bioscience, biotechnology, and biochemistry

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.042593085
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	153.042593085
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8