2-Amino-5-morpholinobenzoic Acid - CAS 153437-52-6

Catalog:	BB010901
Product Name:	2-Amino-5-morpholinobenzoic Acid
CAS:	153437-52-6
Synonyms:	2-amino-5-(4-morpholinyl)benzoic acid; 2-amino-5-morpholin-4-ylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-amino-5-morpholin-4-ylbenzoic acid
Description:	2-Amino-5-morpholinobenzoic Acid (CAS# 153437-52-6) is a useful research chemical.
Molecular Weight:	222.24
Molecular Formula:	C11H14N2O3
Canonical SMILES:	C1COCCN1C2=CC(=C(C=C2)N)C(=O)O
InChI:	InChI=1S/C11H14N2O3/c12-10-2-1-8(7-9(10)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2,(H,14,15)
InChI Key:	HFHMPAKMODSNJN-UHFFFAOYSA-N
LogP:	1.44980

Publication Number	Title	Priority Date
AU-2004259127-A1	Aminoquinoline derivatives and their use as adenosine A3 ligands	20030731
AU-2004259127-B2	Aminoquinoline derivatives and their use as adenosine A3 ligands	20030731
CA-2534105-C	Aminoquinoline derivatives and their use as adenosine a3 ligands	20030731
CN-100402501-C	Aminoquinoline derivatives and their use as adenosine A3 ligands	20030731
CN-101239945-A	Aminoquinoline derivatives and their use as adenosine a3 ligands	20030731

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GHS Hazard Statement:	H302 (100%): 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

Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.10044231
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	222.10044231
Rotatable Bond Count:	2
Topological Polar Surface Area:	75.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7