AG002II1

206446-40-4 | 1-Azetidinecarboxylic acid, 3-phenyl-, 1,1-dimethylethyl ester

AG002II1

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CAS Number	206446-40-4
Catalog Number	AG002II1(AGN-PC-0NL0UG)
Chemical Name	1-Azetidinecarboxylic acid, 3-phenyl-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-phenylazetidine-1-carboxylate
InChI	InChI=1S/C14H19NO2/c1-14(2,3)17-13(16)15-9-12(10-15)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChI Key	HAIAQMOPZSBNRP-UHFFFAOYSA-N
MDL Number	MFCD20528763
Molecular Formula	C14H19NO2
Molecular Weight	233.3062
SMILES	O=C(N1CC(C2=CC=CC=C2)C1)OC(C)(C)C
Synonyms	tert-Butyl 3-phenylazetidine-1-carboxylate, 206446-40-4, SCHEMBL14874076, DTXSID40578910, HAIAQMOPZSBNRP-UHFFFAOYSA-N, MFCD20528763, ZINC95830094, DS-5959, NCGC00374296-01, AK138198, 1-(tert-Butoxycarbonyl)-3-phenylazetidine, tert-butyl-3-Phenylazetidine-1-carboxylate, AJ-134236, CS-0079228, 1-Azetidinecarboxylic acid, 3-phenyl-, 1,1-dimethylethyl ester,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.142g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.311g/mol
Monoisotopic Mass	233.142g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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