AG003DFT

5755-07-7 | 1,3,4,5-Tetrahydro-2H-1,5-benzodiazepin-2-one

AG003DFT

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CAS Number	5755-07-7
Catalog Number	AG003DFT(AGN-PC-0JNCGE)
Chemical Name	1,3,4,5-Tetrahydro-2H-1,5-benzodiazepin-2-one
IUPAC Name	1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
InChI	InChI=1S/C9H10N2O/c12-9-5-6-10-7-3-1-2-4-8(7)11-9/h1-4,10H,5-6H2,(H,11,12)
InChI Key	XTDMZEZDXXJVMK-UHFFFAOYSA-N
MDL Number	MFCD00612448
Molecular Formula	C9H10N2O
Molecular Weight	162.1885
NSC Number	11707
SMILES	O=C1NC2=CC=CC=C2NCC1
Synonyms	5755-07-7, 1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one, 1,3,4,5-Tetrahydro-benzo[b][1,4]diazepin-2-one, 2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one, 1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one, CHEMBL3814945, 1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one, XTDMZEZDXXJVMK-UHFFFAOYSA-N, 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-, 1,3,4,5-Tetrahydrobenzo[b][1,4]diazepin-2-one, NSC11707, AC1L5CT6, AC1Q6M1W, Oprea1_427458, Oprea1_532708, SCHEMBL4071447, CTK1H2663, KS-00001ZZQ, DTXSID20279211, ALBB-017852, CS-B1191, ZINC3865934, ANW-64213, BDBM50178206, MFCD00612448, NSC 11707, NSC-11707, SBB045898, STK866161, AKOS000271473, MCULE-9582091420, RP22530, SDCCGMLS-0065551.P001, TRA0065744, AJ-46274, AK-45215, AM806818, BAS 00340527, BR-45215, DA-19095, DB-027128, ST2408435, TR-041900, 4CH-006741, BB 0216543, FT-0084485, FT-0657643, ST50070594, W7095, 1H,3H,4H,5H-benzo[b]1,4-diazepin-2-one, EN300-79181, 1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one, 55T077, S-6034, 4,5-Dihydro-1H-1,5-benzodiazepin-2(3H)-one, 7W-0803, A831499, 1,3,4,5-tetrahydro-1,5-benzodiazepin-2(2H)-one, 1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-One, 1,3,4,5-Tetrahydrobenzo[b] [1,4]diazepin-2-one, 1H,3H,4H,5H-benzo[b]1,4-diazaperhydroepin-2-one, 2-Oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine, I14-4653, J-514090, I01-16590, 2,6-diazabicyclo[5.4.0]undeca-7,9,11-trien-5-one, F1216-0226, C9H10N2O, KST-1A9653, AR-1B6106, CID223771, 1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one, 5H-1,4-Benzodiazepin-5-one,1,2,3,4-tetrahydro-, 3,4-dihydro-1H-benzo[e][1,4]diazepin-5(2H)-one, 28544-83-4, 103486-79-9,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	162.192g/mol
Monoisotopic Mass	162.079g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335-H412
Packing Group
Precautionary statements	P261-P273-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number