AG00I8IM

454703-20-9 | 1-Azetidinecarboxylic acid, 3-(methylamino)-, 1,1-dimethylethyl ester

AG00I8IM

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CAS Number	454703-20-9
Catalog Number	AG00I8IM(AGN-PC-03Z9NU)
Chemical Name	1-Azetidinecarboxylic acid, 3-(methylamino)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-(methylamino)azetidine-1-carboxylate
InChI	InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-7(6-11)10-4/h7,10H,5-6H2,1-4H3
InChI Key	CHRBSEYIEDTNSC-UHFFFAOYSA-N
MDL Number	MFCD08061962
Molecular Formula	C9H18N2O2
Molecular Weight	186.2514
SMILES	O=C(N1CC(NC)C1)OC(C)(C)C
Synonyms	TERT-BUTYL 3-(METHYLAMINO)AZETIDINE-1-CARBOXYLATE, 454703-20-9, 1-boc-3-(methylamino)azetidine, 1-Boc-3-methylaminoazetidine, 1-N-Boc-3-(methylamino)azetidine, 1-Azetidinecarboxylic acid, 3-(methylamino)-, 1,1-dimethylethyl ester, MFCD08752496, SCHEMBL2279078, CHRBSEYIEDTNSC-UHFFFAOYSA-N, KS-000002UT, 1-Azetidinecarboxylicacid, 3-(methylamino)-, 1,1-dimethylethyl ester, AM1003, BBL103366, CB-333, MFCD08061962, STL557176, ZINC16697110, AKOS005258630, CS-W005439, PB32559, RP03458, AJ-69246, AK-77466, DS-17168, SY021778, AB0035997, AB1004546, DB-070655, ST1010062, 4CH-013009, FT-0683040, Y3007, MFCD08061962 (95%), 1-tert-Butoxycarbonyl-3-(methylamino)azetidine, C-8127, tert-Butyl 3-methylaminoazetidine-1-carboxylate, A826813, J-524497, 3-(methylamino)-1-azetidinecarboxylic acid tert-butyl ester, 3-Methylamino-azetidine-1-carboxylic acid tert-butyl ester, tert-Butyl 3-(methylamino)azetidine-1-carboxylate, AldrichCPR, 3-Methylamino-azetidine-1-carboxylic acid tert-butyl ester, AldrichCPR, C9H18N2O2, ACN-038460, 1-Boc-3-methyl amino azatidine hydrochloride, tert-butyl 3-(methylamino)azetidine-1-carboxylate hydrochloride, 439117-40-5,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.137g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.255g/mol
Monoisotopic Mass	186.137g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2810

Certificate of Analysis

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