N-(3-Amino[1,1'-biphenyl]-4-yl)-carbamic Acid tert-Butyl Ester - CAS 335255-33-9

Catalog:	BB074987
Product Name:	N-(3-Amino[1,1'-biphenyl]-4-yl)-carbamic Acid tert-Butyl Ester
CAS:	335255-33-9
Synonyms:	(3-Aminobiphenyl-4-yl)carbamic Acid tert-Butyl Ester; tert-Butyl (3-Aminobiphenyl-4-yl)carbamate; N-(3-Amino[1,1'-biphenyl]-4-yl)-carbamic Acid 1,1-Dimethylethyl Ester

Technical Data

IUPAC Name:	tert-butyl N-(2-amino-4-phenylphenyl)carbamate
Description:	N-(3-Amino[1,1'-biphenyl]-4-yl)-carbamic Acid tert-Butyl Ester is a reactant used in the optimization of selective HDAC1/HDAC2 inhibitor, preparation of non-competitive metabotropic glutamate receptor 2/3 antagonists
Molecular Weight:	284.35
Molecular Formula:	C17H20N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)N
InChI:	InChI=1S/C17H20N2O2/c1-17(2,3)21-16(20)19-15-10-9-13(11-14(15)18)12-7-5-4-6-8-12/h4-11H,18H2,1-3H3,(H,19,20)
InChI Key:	JHLNSXAYRYQYFG-UHFFFAOYSA-N
Solubility:	Chloroform, Dichloromethane, Methanol
Appearance:	White Solid
Storage:	4°C
References:	Kattar, S. et al. Bioorg. Med. Chem. Lett., 19, 1168 (2009); Woltering, T. et al. Bioorg. Med. Chem. et., 18, 2725 (2008); Witter, D. et al. Bioorg. Med. Chem. Let., 18, 726 (2008).

Complexity:	345
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.152477885
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	284.152477885
Rotatable Bond Count:	4
Topological Polar Surface Area:	64.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4