AG00HV0T

1374651-40-7 | tert-Butyl 7-amino-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate

AG00HV0T

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CAS Number	1374651-40-7
Catalog Number	AG00HV0T(AGN-PC-0WCYKA)
Chemical Name	tert-Butyl 7-amino-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate
IUPAC Name	tert-butyl 7-amino-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate
InChI	InChI=1S/C14H19N3O3/c1-14(2,3)20-13(19)17-7-9-6-10(15)4-5-11(9)16-12(18)8-17/h4-6H,7-8,15H2,1-3H3,(H,16,18)
InChI Key	BGZBMPGQAKCTPO-UHFFFAOYSA-N
MDL Number	MFCD22377993
Molecular Formula	C14H19N3O3
Molecular Weight	277.3190
SMILES	O=C1CN(C(OC(C)(C)C)=O)CC2=CC(N)=CC=C2N1
Synonyms	1374651-40-7, 7-AMINO-4-BOC-4,5-DIHYDRO-1H-BENZO[E][1,4]DIAZEPIN-2(3H)-ONE, tert-Butyl 7-amino-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate, 7-Amino-4-boc-4,5-dihydro-1H-benzo[E][1,4]diazepine-2(3H)-one, MFCD22377993, ZINC91690648, FCH1632572, AS-30052, AX8266405, X-3104, tert-butyl 7-amino-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate,

Complexity	392
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.143g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	277.324g/mol
Monoisotopic Mass	277.143g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	84.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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