1-benzyl-7-methyl-1,4-diazepane - CAS 1266843-37-1

Catalog:	BB006630
Product Name:	1-benzyl-7-methyl-1,4-diazepane
CAS:	1266843-37-1
Synonyms:	7-methyl-1-(phenylmethyl)-1,4-diazepane; 1-benzyl-7-methyl-1,4-diazepane

Technical Data

Patents

Computed Properties

IUPAC Name:	1-benzyl-7-methyl-1,4-diazepane
Description:	1-benzyl-7-methyl-1,4-diazepane (CAS# 1266843-37-1) is used in the synthesis of diazopinones known to carry biological activity. Also a homopiperazine derivative with potential antibiotic properties.
Molecular Weight:	204.317
Molecular Formula:	C13H20N2
Canonical SMILES:	CC1CCNCCN1CC2=CC=CC=C2
InChI:	InChI=1S/C13H20N2/c1-12-7-8-14-9-10-15(12)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChI Key:	RGKDAJPPEVSFBH-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-3412665-A1	Suvorexant intermediate and preparation method thereof	20160201
US-10618891-B2	Suvorexant intermediate and preparation method thereof	20160201
US-2019040052-A1	Suvorexant intermediate and preparation method thereof	20160201
WO-2017133620-A1	Suvorexant intermediate and preparation method thereof	20160201
EP-3412665-B1	Suvorexant intermediates and preparation methods thereof	20160201

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Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.162648646
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.162648646
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9