AG009X66

1346674-10-9 | Ethyl 1-BOC-azetidine-3-carboxylate

AG009X66

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CAS Number	1346674-10-9
Catalog Number	AG009X66(AGN-PC-0WAD0H)
Chemical Name	Ethyl 1-BOC-azetidine-3-carboxylate
IUPAC Name	1-O-tert-butyl 3-O-ethyl azetidine-1,3-dicarboxylate
InChI	InChI=1S/C11H19NO4/c1-5-15-9(13)8-6-12(7-8)10(14)16-11(2,3)4/h8H,5-7H2,1-4H3
InChI Key	GFAKQSWJCMKEGE-UHFFFAOYSA-N
MDL Number	MFCD08704361
Molecular Formula	C11H19NO4
Molecular Weight	229.2729
SMILES	O=C(N1CC(C(OCC)=O)C1)OC(C)(C)C
Synonyms	1346674-10-9, 1-tert-Butyl 3-ethyl azetidine-1,3-dicarboxylate, Ethyl 1-BOC-azetidine-3-carboxylate, 1-Boc-AZETIDINE-3-CARBOXYLIC ACID ETHYL ESTER, ACMC-209bwl, SCHEMBL12615290, CTK6F6978, DTXSID50704384, ANW-19699, MFCD08704361, ZINC71260691, AKOS015924435, CS-W007021, RP27824, AK-78176, DS-17289, SC-98215, AB0000526, AJ-117874, ST2401762, TC-108444, 4CH-019621, Z9817, N-Boc Azetidine-3-carboxylic acid ethyl ester, B-9151, Z-7983, C11H19NO4, 1-(TERT-BUTOXYCARBONYL)-3-ETHYLAZETIDINE-3-CARBOXYLIC ACID,

Complexity	276
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.131g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.276g/mol
Monoisotopic Mass	229.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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