AG0095VT

118454-24-3 | tert-butyl 7-aMino-1,2,4,5-tetrahydrobenzo[d]azepine-3-carboxylate

AG0095VT

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CAS Number	118454-24-3
Catalog Number	AG0095VT(AGN-PC-0PBXSI)
Chemical Name	tert-butyl 7-aMino-1,2,4,5-tetrahydrobenzo[d]azepine-3-carboxylate
IUPAC Name	tert-butyl 7-amino-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
InChI	InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-8-6-11-4-5-13(16)10-12(11)7-9-17/h4-5,10H,6-9,16H2,1-3H3
InChI Key	PNIRXSPRJRSPJH-UHFFFAOYSA-N
MDL Number	MFCD11046302
Molecular Formula	C15H22N2O2
Molecular Weight	262.3474
SMILES	O=C(N1CCC2=CC=C(N)C=C2CC1)OC(C)(C)C
Synonyms	118454-24-3, TERT-BUTYL 7-AMINO-4,5-DIHYDRO-1H-BENZO[D]AZEPINE-3(2H)-CARBOXYLATE, tert-butyl 7-amino-2,3,4,5-tetrahydro-1H-3-benzazepine-3-carboxylate, tert-butyl 7-amino-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate, PNIRXSPRJRSPJH-UHFFFAOYSA-N, SCHEMBL2306894, CTK7D8434, DTXSID90464819, KS-000003TI, MFCD11046302, ZINC95707354, AKOS022171664, PB14865, QC-5057, AJ-133672, CS-0006446, Q-2622, 3-Boc-7-amino-2,3,4,5-tetrahydro-1H-3-benzazepine, 7-Amino-3-t-butyloxycarbonyl-2,3,4,5tetrahydro-1H-benzo[d]azepine, 7-amino-1,2,4,5-tetrahydro-3-benzazepin-3-carboxylic acid tert-butyl ester, 7-AMINO-1,2,4,5-TETRAHYDRO-3-BOC-3-BENZAZEPINE-3-CARBOXYLIC ACID, 7-Amino-3-tertiary-butoxycarbonyl-1,2,4,5-tetrahydro-3H-3-benzazepine, tert-Butyl 7-amino-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate, TERT-BUTYL 7-AMINO-1,2,4,5-TETRAHYDROBENZO[D]AZEPINE-3-CARBOXYLATE, 1,1-Dimethylethyl 7-amino-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate, 3H-3-Benzazepine-3-carboxylic acid,7-amino-1,2,4,5-tetrahydro-,1,1-dimethylethyl ester, 7-Amino-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester, CS-4265, CID11402789, Tert-butyl 10-amino-4-azabicyclo[5.4.0]undeca-8,10,12-triene-4-carboxylate, 3H-3-BENZAZEPINE-3-CARBOXYLIC ACID, 7-AMINO-1,2,4,5-TETRAHYDRO-, 1,1-DIMETHYLETHYL ESTER,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.168g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	262.353g/mol
Monoisotopic Mass	262.168g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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