AG0002VU

1007873-90-6 | 1-Azetidinecarboxylic acid, 2-(aminomethyl)-, 1,1-dimethylethyl ester, (2S)-

AG0002VU

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CAS Number	1007873-90-6
Catalog Number	AG0002VU(AGN-PC-0WBRHU)
Chemical Name	1-Azetidinecarboxylic acid, 2-(aminomethyl)-, 1,1-dimethylethyl ester, (2S)-
IUPAC Name	tert-butyl (2S)-2-(aminomethyl)azetidine-1-carboxylate
InChI	InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(11)6-10/h7H,4-6,10H2,1-3H3/t7-/m0/s1
InChI Key	XTIGSUFOTRCYOO-ZETCQYMHSA-N
MDL Number	MFCD17215571
Molecular Formula	C9H18N2O2
Molecular Weight	186.2514
SMILES	O=C(N1[C@H](CN)CC1)OC(C)(C)C
Synonyms	1007873-90-6, (S)-2-AMINOMETHYL-1-BOC-AZETIDINE, (S)-tert-Butyl 2-(aminomethyl)azetidine-1-carboxylate, tert-butyl (2S)-2-(aminomethyl)azetidine-1-carboxylate, CS-WAA0306, SCHEMBL1398690, DTXSID30680172, XTIGSUFOTRCYOO-ZETCQYMHSA-N, MFCD17215571, ZINC16083194, (S)-1-Boc-2-(aminomethyl)azetidine, AKOS022182505, FCH3500502, PB19595, AJ-68210, AS-34957, OR317248, (2S)-1-BOC-2-AZETIDINEMETHANAMINE, ST1271435, FT-0647321, C-8490, (2S)-aminomethyl-azetidine-1-carboxylic acid tert-butyl ester, 1-Azetidinecarboxylic acid, 2-(aminomethyl)-, 1,1-dimethylethyl ester, (2S)-,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	55.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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