N'-(1-Methylazepan-4-yl)benzohydrazide Hydrochloride

Name: N'-(1-Methylazepan-4-yl)benzohydrazide Hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB059947
Product Name:	N'-(1-Methylazepan-4-yl)benzohydrazide Hydrochloride
Synonyms:	Azelastine HCl Impurity B; N'-(1-methylazepan-4-yl)benzohydrazide; hydrochloride; 1-METHYL-4-(2-BENZOYLHYDRAZINO)AZEPAN HYDROCHLORIDE; Azelastine Related Compound B

Technical Data

IUPAC Name:	N'-(1-methylazepan-4-yl)benzohydrazidehydrochloride
Description:	N'-(1-Methylazepan-4-yl)benzohydrazide Hydrochloride is a useful reagent for the preparation of antiallergy agents.
Molecular Weight:	247.34 + x(36.46)
Molecular Formula:	C14H21N3O·xHCl
Canonical SMILES:	CN1CCCC(CC1)NNC(=O)C2=CC=CC=C2.Cl
InChI:	InChI=1S/C14H21N3O.ClH/c1-17-10-5-8-13(9-11-17)15-16-14(18)12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11H2,1H3,(H,16,18)1H
InChI Key:	LBMOWZCEDIZQOM-UHFFFAOYSA-N
Storage:	Hygroscopic, Refrigerator, under inert atmosphere
References:	Engel, J., & Scheffler, G. Ger. Offen. (1987), DE 3634942 A1.

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.14514
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	283.14514
Rotatable Bond Count:	3
Topological Polar Surface Area:	44.4Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0