AG002AVH

197569-11-2 | 1-Piperidinecarboxylic acid, 4-(cyanomethylene)-, 1,1-dimethylethyl ester

AG002AVH

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CAS Number	197569-11-2
Catalog Number	AG002AVH(AGN-PC-0QP581)
Chemical Name	1-Piperidinecarboxylic acid, 4-(cyanomethylene)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-(cyanomethylidene)piperidine-1-carboxylate
InChI	InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h4H,5-6,8-9H2,1-3H3
InChI Key	BXCZVPSAYHBSQZ-UHFFFAOYSA-N
MDL Number	MFCD03695496
Molecular Formula	C12H18N2O2
Molecular Weight	222.2835
SMILES	O=C(N1CCC(CC1)=CC#N)OC(C)(C)C
Synonyms	197569-11-2, tert-butyl 4-(cyanomethylene)piperidine-1-carboxylate, tert-butyl 4-(cyanomethylidene)piperidine-1-carboxylate, 1-N-Boc-4-(cyanomethylene)piperidine, SCHEMBL99227, 1-Boc-4-cyanomethylenepiperidine, KS-00001BEM, DTXSID30571556, BXCZVPSAYHBSQZ-UHFFFAOYSA-N, ZINC2509486, HTS028293, MFCD03695496, QC-665, AKOS015991469, ACN-049709, CB-1951, FCH1620552, HF-0215, MCULE-5597772758, RP12867, SB12946, ACM197569112, AJ-36320, AK144428, ST2402067, tertbutylcyanomethylidenepiperidinecarboxylate, CS-0037434, FT-0689805, V4110, EN300-127276, K-5788, J-524655, tert-butyl4-(cyanomethylene)piperidine-1-carboxylate, 4-cyanomethylenepiperidine-1-carboxylic acid t-butyl ester, 4-Cyanomethylene-piperidine-1-carboxylic acid tert-butyl ester, 1-Piperidinecarboxylic acid, 4-(cyanomethylene)-, 1,1-dimethylethyl ester, C12H18N2O2, N-BOC-4-(CYANOMETHYLENE)PIPERIDINE, 77481-28-8,

Complexity	334
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.137g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.288g/mol
Monoisotopic Mass	222.137g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

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