AG002W9E

287193-01-5 | 1-Azetidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester

AG002W9E

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CAS Number	287193-01-5
Catalog Number	AG002W9E(AGN-PC-0A5SYJ)
Chemical Name	1-Azetidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-ethynylazetidine-1-carboxylate
InChI	InChI=1S/C10H15NO2/c1-5-8-6-11(7-8)9(12)13-10(2,3)4/h1,8H,6-7H2,2-4H3
InChI Key	UENGYBYGCXKNRF-UHFFFAOYSA-N
MDL Number	MFCD17016080
Molecular Formula	C10H15NO2
Molecular Weight	181.2316
SMILES	CC(C)(C)OC(=O)N1CC(C1)C#C
Synonyms	TERT-BUTYL 3-ETHYNYLAZETIDINE-1-CARBOXYLATE, 287193-01-5, 1-Boc-3-ethynylazetidine, AK103160, 1-Boc-3-ethynyl-azetidine, SCHEMBL1903973, CTK8C0666, DTXSID90710747, UENGYBYGCXKNRF-UHFFFAOYSA-N, KS-000003QT, ZX-RL006009, ANW-65056, MFCD17016080, ZINC72194083, AKOS015949336, DS-4029, FCH1180778, PB22852, RP07264, ACM287193015, OR308016, AB0009968, AJ-119490, AX8234699, DB-023396, TX-015504, AM20090374, FT-0684859, C-8912, J-524537, 3-ETHYNYL-1-AZETIDINECARBOXYLIC ACID TERT-BUTYL ESTER, 1-AZETIDINECARBOXYLIC ACID, 3-ETHYNYL-, 1,1-DIMETHYLETHYL ESTER, C10H15NO2, MFCD09951813, tert-Butyl3-ethynylazetidine-1-carboxylate,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.11g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.235g/mol
Monoisotopic Mass	181.11g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^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

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