AG003SWL

3010-03-5 | N-CYANOMETHYLPIPERIDINE

AG003SWL

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CAS Number	3010-03-5
Catalog Number	AG003SWL(AGN-PC-0JKDWZ)
Chemical Name	N-CYANOMETHYLPIPERIDINE
EC Number	221-131-1
IUPAC Name	2-piperidin-1-ylacetonitrile
InChI	InChI=1S/C7H12N2/c8-4-7-9-5-2-1-3-6-9/h1-3,5-7H2
InChI Key	CLVBVRODHJFTGF-UHFFFAOYSA-N
MDL Number	MFCD00023733
Molecular Formula	C7H12N2
Molecular Weight	124.1836
SMILES	N#CCN1CCCCC1
UNII	W8I8FIB013
Synonyms	3010-03-5, 1-Cyanomethylpiperidine, Piperidinoacetonitrile, N-Cyanomethylpiperidine, piperidin-1-ylacetonitrile, 1-Piperidineacetonitrile, Piperidoacetonitrile, Piperidine-1-acetonitrile, 2-(piperidin-1-yl)acetonitrile, N-Piperidinoacetonitrile, ACETONITRILE, PIPERIDINO-, 2-piperidinoacetonitrile, 1-Piperidinoacetonitrile, NSC 26716, UNII-W8I8FIB013, 2-piperidin-1-ylacetonitrile, (Piperidin-1-yl)acetonitrile, W8I8FIB013, CLVBVRODHJFTGF-UHFFFAOYSA-N, EINECS 221-131-1, NSC 47261, NSC 62871, BRN 0108905, 2-piperidylethanenitrile, AI3-15234, WLN: T6MTJ X1CN, Piperidinoacetonitril, piperidineacetonitrile, 1-Piperidinylacetonitrile, N-(Cyanomethyl)piperidine, 1-(Cyanomethyl)piperidine, ACMC-1CS0V, 1-Piperidinylacetonitrile #, AC1L2BH8, 2-(1-piperidyl)acetonitrile, SCHEMBL64903, CHEMBL1193397, CLVBVRODHJFTGF-UHFFFAOYSA-, CTK1C2458, DTXSID30184185, ALBB-004596, CS-D1261, NSC26716, NSC47261, NSC62871, ANW-13792, BBL004030, NSC-26716, NSC-47261, NSC-62871, SBB017050, STK503243, ZINC19506268, AKOS000190043, MCULE-4666790939, PS-4313, CS-10229, LS-13308, TR-036408, 4CH-000342, R1499, ST50409600, 5-20-03-00029 (Beilstein Handbook Reference), I14-23417, Z169223032, InChI=1/C7H12N2/c8-4-7-9-5-2-1-3-6-9/h1-3,5-7H2, CID18164, c1314, MFCD00023733, 3088-41-3,

Complexity	116
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	1
Topological Polar Surface Area	27A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331-H315-H319
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
UN Code	UN 3439

Certificate of Analysis

Lot Number