AG000H13

1158758-77-0 | 3-Amino-1-Boc-3-methyl-azetidine

AG000H13

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CAS Number	1158758-77-0
Catalog Number	AG000H13(AGN-PC-0BKESZ)
Chemical Name	3-Amino-1-Boc-3-methyl-azetidine
IUPAC Name	tert-butyl 3-amino-3-methylazetidine-1-carboxylate
InChI	InChI=1S/C9H18N2O2/c1-8(2,3)13-7(12)11-5-9(4,10)6-11/h5-6,10H2,1-4H3
InChI Key	LDWZHGRHSCFIJE-UHFFFAOYSA-N
MDL Number	MFCD12408556
Molecular Formula	C9H18N2O2
Molecular Weight	186.2514
SMILES	NC1(CN(C1)C(=O)OC(C)(C)C)C
Synonyms	1158758-77-0, tert-butyl 3-amino-3-methylazetidine-1-carboxylate, 3-Amino-1-Boc-3-methyl-azetidine, TERT-BUTYL 3-AMINO-3-METHYL-AZETIDINE-1-CARBOXYLATE, 1-BOC-3-AMINO-3-METHYL-AZETIDINE, tert-butyl 3-amino azetidine-1-carboxylate, SCHEMBL14738914, CTK8E2269, DTXSID00718855, 1-Boc-3-amino-3-methylazetidine, LDWZHGRHSCFIJE-UHFFFAOYSA-N, MFCD12408556, ZINC44682103, AKOS014320896, DS-8947, PB26844, RP09466, AK165264, DA-47713, QC-11614, SC-51944, AB0009966, AB1011681, ST1010035, TC-072471, FT-0684681, C-8006, J-524517, 1-Azetidinecarboxylic acid, 3-amino-3-methyl-, 1,1-dimethylethyl ester, 3-AMINO-3-METHYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, null, C9H18N2O2,

Complexity	214
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	2
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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