CAS Registry Number: 61903-11-5

Name:

Ethanone, 1-​(hexahydro-​1H-​1,​4-​diazepin-​1-​yl)​-
1H-​1,​4-​Diazepine, 1-​acetylhexahydro- (7CI,​9CI); 1-​(1,​4-​Diazepan-​1-​yl)​ethanone; 1-​Acetyl-​1,​4-​diazepane; 1-​Acetylhexahydro-​1,​4-​diazepine; 1-​Acetylhexahydro-​1H-​1,​4-​diazepine; 1-​Acetylhomopiperazine; 4-​Acetyl-​1,​4-​diazepane; 4-​Acetylhomopiperazine; N-​Acetylhomopiperazine 

Chemical Formula: C7H14N2O
Exact Mass: 142.11
Molecular Weight: 142.20
m/z: 142.11 (100.0%), 143.11 (8.3%)
Elemental Analysis: C, 59.12; H, 9.92; N, 19.70; O, 11.25

InChI: InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3
InChIKey: TWJPZMYNUBAUGA-UHFFFAOYSA-N
Canonical SMILES : CC(=O)N1CCCNCC1

Specification

98%

1. (1) Martini, Elisabetta; Bioorganic & Medicinal Chemistry 2009, V17(21), P7606-7614 CAPLUS