Methyl 2-Benzylhydrazinecarboxylate - CAS 69353-11-3

Catalog:	BB076367
Product Name:	Methyl 2-Benzylhydrazinecarboxylate
CAS:	69353-11-3
Synonyms:	methyl N-(benzylamino)carbamate; CARBAZIC ACID, 3-BENZYL-, METHYL ESTER; Methyl 2-benzylhydrazine-1-carboxylate; Methyl 3-benzylcarbazate; Carbamic acid, benzylamino-, methyl ester

Technical Data

IUPAC Name:	methyl N-(benzylamino)carbamate
Description:	Methyl 2-benzylhydrazinecarboxylate is an intermediate for the synthesis of CFM 1571 Hydrochloride (C291720), which acts as a soluble guanylyl cyclase (sGC) activator while ignoring adenylyl cyclase. Inhibits collagen-stimulated platelet aggregation in vitro.
Molecular Weight:	180.2
Molecular Formula:	C9H12N2O2
Canonical SMILES:	COC(=O)NNCC1=CC=CC=C1
InChI:	InChI=1S/C9H12N2O2/c1-13-9(12)11-10-7-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,11,12)
InChI Key:	TVFSXPGMAXVSDS-UHFFFAOYSA-N
Solubility:	DMSO; Chloroform; Ethyl Acetate; Ethanol
Appearance:	White Solid
References:	Kotzki, S. et al. J. Pharm. Exp. Ther., 346, 424 (2013); Selwood, D> et al. J. Med. CHem., 44, 78 (2001).

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.08987763
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	180.08987763
Rotatable Bond Count:	4
Topological Polar Surface Area:	50.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2