AG003MUN

194032-42-3 | tert-butyl 5-methyl-1,4-diazepane-1-carboxylate

AG003MUN

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CAS Number	194032-42-3
Catalog Number	AG003MUN(AGN-PC-0QMK7H)
Chemical Name	tert-butyl 5-methyl-1,4-diazepane-1-carboxylate
IUPAC Name	tert-butyl 5-methyl-1,4-diazepane-1-carboxylate
InChI	InChI=1S/C11H22N2O2/c1-9-5-7-13(8-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3
InChI Key	SVMXIQUBNSPVCB-UHFFFAOYSA-N
MDL Number	MFCD11616042
Molecular Formula	C11H22N2O2
Molecular Weight	214.3046
SMILES	CC1NCCN(C(OC(C)(C)C)=O)CC1
Synonyms	194032-42-3, tert-butyl 5-methyl-1,4-diazepane-1-carboxylate, 1-Boc-5-Methyl-1,4-diazepane, tetrt-butyl5-methyl-1,4-diazepane-1-carboxylate, tetrt-butyl 5-methyl-1,4-diazepane-1-carboxylate, 5-METHYL-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, 1H-1,4-Diazepine-1-carboxylicacid,hexahydro-5-methyl-,1,1-dimethylethylester, 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-methyl-, 1,1-dimethylethyl ester, PubChem17506, AMOT0426, SCHEMBL6971721, DTXSID70622617, SVMXIQUBNSPVCB-UHFFFAOYSA-N, 1-boc-5-methyl-1,4-diazep..., 1-N-Boc-5-methyl-1,4-diazepane, ANW-47589, MFCD11616042, AKOS005137963, AM84979, CB-1028, PB31585, RL02451, RTC-020398, AN-30199, AS-30192, BR-40136, AB0023146, CS-0048180, FT-0733121, ST24031838, TL80090038, W4146, KS-00000275, A26003, S-7372, tetrt-butyl6-methyl-1,4-diazepane-1-carboxylate, 032B423, J-524556, J-524900, S14-2647, I14-13275, Hexahydro-5-methyl-1H-1,4-diazepine-1-carboxylic acid 1,1-dimethylethyl ester, Hexahydro-5-methyl-1H-1,4-diazepine-1-carboxylic acid 1,1-dimethylethyl ester;tert-butyl 5-methyl-1,4-diazepane-1-carboxylate, C11H22N2O2, (R)-1-Boc-5-methyl-1,4-diazepane, ACN-031721, Tert-Butyl 3-Methyl-1,4-Diazepane-1-Carboxylate, (S)-TERT-BUTYL 5-METHYL-1,4-DIAZEPANE-1-CARBOXYLATE, 1260619-37-1, 1260619-38-2,

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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