AG000CZL

1166820-07-0 | 1H-1,4-Diazepine-1-carboxylic acid, 6,6-difluorohexahydro-, 1,1-dimethylethyl ester

AG000CZL

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CAS Number	1166820-07-0
Catalog Number	AG000CZL(AGN-PC-0WO09D)
Chemical Name	1H-1,4-Diazepine-1-carboxylic acid, 6,6-difluorohexahydro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate
InChI	InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-5-4-13-6-10(11,12)7-14/h13H,4-7H2,1-3H3
InChI Key	QELRSCXQUXCUED-UHFFFAOYSA-N
MDL Number	MFCD17015572
Molecular Formula	C10H18F2N2O2
Molecular Weight	236.2589
SMILES	C(=O)(OC(C)(C)C)N1CC(F)(F)CNCC1
Synonyms	1166820-07-0, tert-butyl 6,6-difluoro-1,4-diazepane-1-carboxylate, 6,6-DIFLUORO-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, SCHEMBL2264531, CTK4A9938, DTXSID50718845, QELRSCXQUXCUED-UHFFFAOYSA-N, MFCD17015572, ZINC71864485, AKOS024156517, AM805713, AS-39719, TX-013502, 6,6-Difluoro-[1,4]diazepane-1-carboxylic acid tert-butyl ester, AldrichCPR, 1H-1,4-Diazepine-1-carboxylic acid, 6,6-difluorohexahydro-, 1,1-dimethylethyl ester,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.134g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.263g/mol
Monoisotopic Mass	236.134g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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