AG003SOZ

61903-11-5 | 1-(1,4-Diazepan-1-yl)ethanone

AG003SOZ

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CAS Number	61903-11-5
Catalog Number	AG003SOZ(AGN-PC-0L6UI1)
Chemical Name	1-(1,4-Diazepan-1-yl)ethanone
IUPAC Name	1-(1,4-diazepan-1-yl)ethanone
InChI	InChI=1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3
InChI Key	TWJPZMYNUBAUGA-UHFFFAOYSA-N
MDL Number	MFCD00674492
Molecular Formula	C7H14N2O
Molecular Weight	142.1989
SMILES	CC(=O)N1CCCNCC1
Synonyms	N-Acetylhomopiperazine, 1-(1,4-diazepan-1-yl)ethanone, 61903-11-5, 1-Acetylhomopiperazine, 1-acetyl-1,4-diazepane, 1-Acetylhexahydro-1H-1,4-diazepine, 1-(1,4-Diazepan-1-Yl)Ethan-1-One, 1-[1,4]Diazepan-1-yl-ethanone, MFCD00674492, 1H-1,4-Diazepine, 1-acetylhexahydro-, N-Acetylhomopperazne, 4-acetylhomopiperazine, N-acetyl-homopiperazine, N-acetyl-homopiperizine, AC1N4XLB, AC1Q1KDT, AC1Q1KDU, ACMC-1B5SA, 1-acetyl-[1,4]diazepane, SCHEMBL44868, 1-acetyl-1,4-diazaperhydroepine, CTK2F2642, KS-00000KXL, DTXSID00400480, TWJPZMYNUBAUGA-UHFFFAOYSA-N, 1-(1,4-Diazepin-1-yl)ethanone, 1-[1,4]-diazepan-1-yl-ethanone, ZINC4521106, ANW-57931, BBL013476, STL183831, AKOS000119045, AC-9098, AN-7355, MCULE-1264485184, RP20769, VP70263, AJ-51369, AK-24088, N-Acetylhomopiperazine, >=97.0% (GC), SC-66772, TS-01850, AB0073348, DB-054018, TC-010754, A8570, FT-0640793, ST24036961, ST50823810, Z2194, EN300-23907, W-7472, J-523436, F8881-2646, I14-101294, C7H14N2O, ACN-051919, CID4186202, N-Acetylhomopiperazine, 97% - 1G 1g,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.111g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	142.202g/mol
Monoisotopic Mass	142.111g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H319
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 2735

Certificate of Analysis

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