Methyl 4-Amino-1-naphthoate - CAS 157252-24-9

Catalog:	BB011302
Product Name:	Methyl 4-Amino-1-naphthoate
CAS:	157252-24-9
Synonyms:	4-amino-1-naphthalenecarboxylic acid methyl ester; methyl 4-aminonaphthalene-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-aminonaphthalene-1-carboxylate
Description:	Methyl 4-Amino-1-naphthoate (CAS# 157252-24-9) is a useful research chemical.
Molecular Weight:	201.22
Molecular Formula:	C12H11NO2
Canonical SMILES:	COC(=O)C1=CC=C(C2=CC=CC=C21)N
InChI:	InChI=1S/C12H11NO2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7H,13H2,1H3
InChI Key:	LBYWWJUIABXSBG-UHFFFAOYSA-N
LogP:	2.78980

Publication Number	Title	Priority Date
EP-1414795-A1	Bicyclic modulators of androgen receptor function	20010731
EP-1414795-A4	BICYCLIC MODULATORS OF THE FUNCTION OF THE ANDROGEN RECEPTOR	20010731
US-2003055094-A1	Bicyclic modulators of androgen receptor function	20010731
US-2004092559-A1	Bicyclic modulators of androgen receptor function	20010731
US-6670386-B2	Bicyclic modulators of androgen receptor function	20010731

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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:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.078978594
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	201.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3