AG002IRS

20691-92-3 | 4-Piperidinecarbonitrile, 1-methyl-

AG002IRS

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CAS Number	20691-92-3
Catalog Number	AG002IRS(AGN-PC-00G6YM)
Chemical Name	4-Piperidinecarbonitrile, 1-methyl-
IUPAC Name	1-methylpiperidine-4-carbonitrile
InChI	InChI=1S/C7H12N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-5H2,1H3
InChI Key	HNAKTMSXYZOSTP-UHFFFAOYSA-N
MDL Number	MFCD06658487
Molecular Formula	C7H12N2
Molecular Weight	124.1836
SMILES	CN1CCC(CC1)C#N
Synonyms	1-methylpiperidine-4-carbonitrile, 20691-92-3, 1-Methyl-piperidine-4-carbonitrile, 4-Piperidinecarbonitrile, 1-methyl-, 4-Cyano-1-methyl-piperidine, 4-Piperidinecarbonitrile,1-methyl-, MFCD06658487, PubChem23897, 1-Methylisonipecotonitrile, 4-cyano-1-methylpiperidine, SCHEMBL178418, CTK4E4889, DTXSID70472715, 1-Methyl-4-piperidinecarbonitrile, HNAKTMSXYZOSTP-UHFFFAOYSA-N, BCP21239, AB1539, ZINC32005352, AKOS009459105, RP00755, AJ-84510, AS-44602, SC-25157, AB0040568, DB-066298, FT-0687957, Y8195, A-7288, W-206545, C7H12N2, ACN-031034, CID11789206, A4495, 4-Cyano-1-methyl-piperidine, 97% - 1G 1g,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.1g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	124.187g/mol
Monoisotopic Mass	124.1g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	27A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331-H315-H319-H335-H373
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

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