AG001QCB

158602-35-8 | 3-Azetidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester

AG001QCB

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	158602-35-8
Catalog Number	AG001QCB(AGN-PC-0WAMQ5)
Chemical Name	3-Azetidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester
IUPAC Name	tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
InChI	InChI=1S/C12H21NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChI Key	HTYZZXUWPRCEIN-UHFFFAOYSA-N
MDL Number	MFCD11616049
Molecular Formula	C12H21NO4
Molecular Weight	243.2994
SMILES	O=C(N1CC(CC(OCC)=O)C1)OC(C)(C)C
Synonyms	TERT-BUTYL 3-(2-ETHOXY-2-OXOETHYL)AZETIDINE-1-CARBOXYLATE, 158602-35-8, Ethyl 1-Boc-3-azetidineacetate, 3-Azetidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester, SCHEMBL1661739, CTK6F8478, HTYZZXUWPRCEIN-UHFFFAOYSA-N, Ethyl N-BOC-azetidin-3-ylacetate, KS-000007PJ, MFCD11616049, ZINC34513996, AKOS022182312, DS-3106, PB20607, 1-Boc-3-azetidineacetic acid ethyl ester, AJ-89022, AK-67616, DA-09790, ST2407652, FT-0747727, Q-1297, tert-Butyl 3-(2-ethoxy-2-oxoethyl);azetidine-1-carboxylate, 3-ethoxycarbonylmethyl-azetidine-1-carboxylic acid tert-butyl ester, 1,1-dimethylethyl 3-[2-(ethyloxy)-2-oxoethyl]-1-azetidinecarboxylate,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.147g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.303g/mol
Monoisotopic Mass	243.147g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number