AG008XPA

1036738-82-5 | 1-(Cyclopropylsulfonyl)piperidine-4-carbonitrile

AG008XPA

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CAS Number	1036738-82-5
Catalog Number	AG008XPA(AGN-PC-073FAH)
Chemical Name	1-(Cyclopropylsulfonyl)piperidine-4-carbonitrile
IUPAC Name	1-cyclopropylsulfonylpiperidine-4-carbonitrile
InChI	InChI=1S/C9H14N2O2S/c10-7-8-3-5-11(6-4-8)14(12,13)9-1-2-9/h8-9H,1-6H2
InChI Key	UCYJUHUZUVRJKE-UHFFFAOYSA-N
MDL Number	MFCD19440953
Molecular Formula	C9H14N2O2S
Molecular Weight	214.2847
SMILES	C1CC1S(=O)(=O)N2CCC(CC2)C#N
Synonyms	1-(Cyclopropylsulfonyl)piperidine-4-carbonitrile, 1036738-82-5, 1-(Cyclopropylsulfonyl)-4-piperidinecarbonitrile, SCHEMBL13411077, DTXSID80658043, KS-00000RB8, MFCD19440953, ZINC70908735, AKOS013879414, DS-5510, AK127310, AJ-117423, 4CH-023598, ST24037600, 1-(Cyclopropanesulfonyl)piperidine-4-carbonitrile, A1-06260,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.078g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.283g/mol
Monoisotopic Mass	214.078g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	69.6A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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