AG00BYSJ

34376-54-0 | 2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5(4H)-one

AG00BYSJ

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CAS Number	34376-54-0
Catalog Number	AG00BYSJ(AGN-PC-0KK8EP)
Chemical Name	2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5(4H)-one
IUPAC Name	1,4-diazepan-5-one
InChI	InChI=1S/C5H10N2O/c8-5-1-2-6-3-4-7-5/h6H,1-4H2,(H,7,8)
InChI Key	QPPLBCQXWDBQFS-UHFFFAOYSA-N
MDL Number	MFCD00766804
Molecular Formula	C5H10N2O
Molecular Weight	114.1457
SMILES	O=C1CCNCCN1
Synonyms	N,N'-bis(3-(2,2',6,6'-tetramethylbenzhydryloxy)-2-hydroxypropyl)ethylenediamine, S 2824, S-2824, S2824 cpd, 1,4-diazepan-5-one, 34376-54-0, [1,4]Diazepan-5-one, homopiperazin-5-one, MFCD00766804, 2,3,6,7-tetrahydro-(1h)-1,4-diazepin-5(4h)-one, 5H-1,4-DIAZEPIN-5-ONE, HEXAHYDRO-, 2,3,4,5,6,7-hexahydro-1H-1,4-diazepin-5-one, Peakdale1_000765, 5-homopiperazinone, ACMC-1CTXS, AC1Q6ESK, [1,4]-diazepan-5-one, SCHEMBL89391, AC1MC712, AMOT0284, CTK8B4496, HMS520C17, DTXSID50371954, QPPLBCQXWDBQFS-UHFFFAOYSA-N, BH762, 1,4-Diazepan-5-one, AldrichCPR, hexahydro-1H-1,4-diazepin-5-one, KS-00002AM0, ZINC1529145, ANW-45292, FC0569, AKOS000122805, AB07054, AM85736, CD-1868, CS-W011246, MCULE-1678306131, PS-6164, RP19146, VZ34206, AJ-26571, AN-16550, BR-29192, EN003038, SC-21923, AB0024339, DB-013174, ST2414846, TR-014247, 4CH-013468, A6051, FT-0639186, W5590, EN300-30392, TL800741310, D67172, S-2824, AB00982368-01, 376D540, 1,2,3,4,6,7-Hexahydro-5H-1,4-diazepine-5-one, J-503978, 2,3,6,7-Tetrahydro-1H-1,4-diazepin-5(4H)-one|, 2,3,6,7-tetrahydro-(1h)-1,4 diazepin-5-(4h)-one, 2,3,6,7-tetrahydro-(1h)-1,4-diazepin-5-(4h)-one, 1,4-diazepan-2-one, C5H10N2O, 1,4-DIAZEPAN-5-ONE HCL, ACN-030103, CID2737264, 2,3,6,7-Tetrahydro- -1,4-diazepin-5 -one,

Complexity	92.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	114.079g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	114.148g/mol
Monoisotopic Mass	114.079g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number