AG001TOH

1630815-51-8 | (S)-tert-Butyl 2-(aminomethyl)-2-propylazetidine-1-carboxylate

AG001TOH

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CAS Number	1630815-51-8
Catalog Number	AG001TOH(AGN-PC-0WCXCM)
Chemical Name	(S)-tert-Butyl 2-(aminomethyl)-2-propylazetidine-1-carboxylate
IUPAC Name	tert-butyl (2S)-2-(aminomethyl)-2-propylazetidine-1-carboxylate
InChI	InChI=1S/C12H24N2O2/c1-5-6-12(9-13)7-8-14(12)10(15)16-11(2,3)4/h5-9,13H2,1-4H3/t12-/m0/s1
InChI Key	GCEQPBSLYITHFN-LBPRGKRZSA-N
MDL Number	MFCD28166305
Molecular Formula	C12H24N2O2
Molecular Weight	228.3312
SMILES	O=C(N1[C@](CCC)(CN)CC1)OC(C)(C)C
Synonyms	1630815-51-8, (S)-tert-Butyl 2-(aminomethyl)-2-propylazetidine-1-carboxylate, tert-butyl (2S)-2-(aminomethyl)-2-propylazetidine-1-carboxylate, KS-000006GY, MFCD28166305, ZINC169804712, FCH4043317, AK171468, AS-52216, CS-0048619, 1-Boc-(2S)-2-(aminomethyl)-2-propylazetidine, 1-Azetidinecarboxylic acid, 2-(aminomethyl)-2-propyl-, 1,1-dimethylethyl ester, (2S)-,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	228.184g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.336g/mol
Monoisotopic Mass	228.184g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precautionary statements	P261-P305+P351+P338

Certificate of Analysis

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