AG000FWP

1153949-11-1 | 1-Azetidinecarboxylic acid, 3-(cyanomethylene)-, 1,1-dimethylethyl ester

AG000FWP

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CAS Number	1153949-11-1
Catalog Number	AG000FWP(AGN-PC-07HANY)
Chemical Name	1-Azetidinecarboxylic acid, 3-(cyanomethylene)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-(cyanomethylidene)azetidine-1-carboxylate
InChI	InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h4H,6-7H2,1-3H3
InChI Key	BESFCRTTXQYNBW-UHFFFAOYSA-N
MDL Number	MFCD12761241
Molecular Formula	C10H14N2O2
Molecular Weight	194.2304
SMILES	CC(C)(C)OC(=O)N1CC(C1)=CC#N
Synonyms	1153949-11-1, tert-Butyl 3-(cyanomethylene)azetidine-1-carboxylate, 1-Boc-3-(cyanomethylene)azetidine, TERT-BUTYL 3-(CYANOMETHYLIDENE)AZETIDINE-1-CARBOXYLATE, AK-59470, 1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine, SCHEMBL344121, CTK8C2692, DTXSID40671859, BESFCRTTXQYNBW-UHFFFAOYSA-N, BCP07281, KS-000003HG, 2512AA, ANW-68852, MFCD12761241, ZINC72204040, AKOS015940382, AM80934, FCH1134410, PB13560, QC-5006, DS-16302, SC-69750, SY039807, AB0072803, AJ-120633, AX8217234, TC-157597, B5217, CS-0042764, FT-0738563, MFCD12761241 (95%), Q-1893, tert-butyl 3-cyanomethyleneazetidine-1-carboxylate, tert-butyl-3-(cyanomethylene)azetidine-1-carboxylate, tert-Butyl 3-(cyanomethylene);azetidine-1-carboxylate, 3-(Cyanomethylene)-1-azetidinecarboxylic acid tert-butyl ester, 3-(Cyanomethylene)azetidine-1-carboxylic Acid tert-Butyl Ester, 3-CYANOMETHYLENE-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, 1-Azetidinecarboxylic acid, 3-(cyanomethylene)-, 1,1-dimethylethyl ester, C10H14N2O2, tert-Butyl3-(cyanomethylene)azetidine-1-carboxylate, 3-Cyanomethylene-azetidine-1-carboxylic acid tert-butyl ester - 1G 1g,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.106g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.234g/mol
Monoisotopic Mass	194.106g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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