AG003E1B

194032-35-4 | tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate

AG003E1B

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CAS Number	194032-35-4
Catalog Number	AG003E1B(AGN-PC-09OFW8)
Chemical Name	tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate
IUPAC Name	tert-butyl 3-methyl-1,4-diazepane-1-carboxylate
InChI	InChI=1S/C11H22N2O2/c1-9-8-13(7-5-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3
InChI Key	GDTFCUXOVITPHU-UHFFFAOYSA-N
MDL Number	MFCD11616041
Molecular Formula	C11H22N2O2
Molecular Weight	214.3046
SMILES	CC1CN(C(OC(C)(C)C)=O)CCCN1
Synonyms	194032-35-4, Tert-Butyl 3-Methyl-1,4-Diazepane-1-Carboxylate, 1-Boc-3-Methyl-1,4-diazepane, 1-Boc-3-Methyl-[1,4]diazepane, 1-N-Boc-3-methyl-1,4-diazepane, TETRT-BUTYL3-METHYL-1,4-DIAZEPANE-1-CARBOXYLATE, 1H-1,4-Diazepine-1-carboxylicacid,hexahydro-3-methyl-,1,1-dimethylethylester, tert-butyl-3-Methyl-1,4-Diazepane-1-Carboxylate, AK206893, Hexahydro-2(S)-methyl-4-(t-butoxycarboxyl)-1,4-diazepine, TERT-BUTYL (3R)-3-METHYL-1,4-DIAZEPANE-1-CARBOXYLATE, AMOT0425, SCHEMBL2898103, GDTFCUXOVITPHU-UHFFFAOYSA-N, 0053AB, ANW-72407, MFCD11616041, AKOS005266564, ACN-031725, AM84980, CB-4005, FCH1628302, PB20606, RP26826, RTC-071817, ACM194032354, AK-40598, AS-30191, AX8162341, DB-065842, TC-071817, BB 0261431, CS-0054823, FT-0755032, KS-00000062, Q-4377, S14-2648, I14-13273, 4-(tert-butoxycarbonyl)-hexahydro-2-methyl-1H-1,4-diazepine, tert-Butyl 3-methyl-1,4-diazepane-1-carboxylate, AldrichCPR, C11H22N2O2, (S)-TERT-BUTYL 3-METHYL-1,4-DIAZEPANE-1-CARBOXYLATE, 194032-32-1, (R)-TERT-BUTYL 3-METHYL-1,4-DIAZEPANE-1-CARBOXYLATE, 223644-10-8, TERT-BUTYL (3S)-3-METHYL-1,4-DIAZEPANE-1-CARBOXYLATE,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.168g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.309g/mol
Monoisotopic Mass	214.168g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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