AG008AJ4

886364-33-6 | tert-Butyl 7-chloro-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate

AG008AJ4

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CAS Number	886364-33-6
Catalog Number	AG008AJ4(AGN-PC-051LRT)
Chemical Name	tert-Butyl 7-chloro-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate
IUPAC Name	tert-butyl 7-chloro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate
InChI	InChI=1S/C14H19ClN2O2/c1-14(2,3)19-13(18)17-7-6-16-12-5-4-11(15)8-10(12)9-17/h4-5,8,16H,6-7,9H2,1-3H3
InChI Key	SVDLJDXSVLNEGB-UHFFFAOYSA-N
MDL Number	MFCD07369868
Molecular Formula	C14H19ClN2O2
Molecular Weight	282.7659
SMILES	O=C(N1CCNC2=CC=C(Cl)C=C2C1)OC(C)(C)C
Synonyms	886364-33-6, 4-Boc-7-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine, tert-butyl 7-chloro-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate, Q-102419, tert-butyl 7-chloro-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate, CTK5G0993, DTXSID10649621, 4476AC, ANW-73252, MFCD07369868, ZINC12648518, AKOS015841658, CB-3086, FCH1625143, RTC-061262, AJ-62779, AS-36667, AX8037940, DB-012605, TC-061262, FT-0750467, X-3298, 4-Boc-7-chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4] diazepine, 4-Boc-7-chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine, AldrichCPR, 7-chloro-1,2,3,5-tetrahydro-benzo[e][1,4]diazepine-4-carboxylic acid tert-butyl ester, 7-Chloro-1,2,3,5-tetrahydrobenzo[e][1,4]diazepine-4-carboxylic acid tert-butyl ester, tert-Butyl 7-chloro-1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate, 4h-1,4-benzodiazepine-4-carboxylic acid, 7-chloro-1,2,3,5-tetrahydro-, 1,1-dimethylethyl ester, 4H-1,4-Benzodiazepine-4-carboxylicacid, 7-chloro-1,2,3,5-tetrahydro-, 1,1-dimethylethyl ester, C14H19ClN2O2, A10627, tert-Butyl7-chloro-2,3-dihydro-1H-benzo[e][1,4]diazepine-4(5H)-carboxylate,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.114g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	282.768g/mol
Monoisotopic Mass	282.114g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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