AG0031K5

3088-41-3 | 1-Piperidinepropanenitrile

AG0031K5

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CAS Number	3088-41-3
Catalog Number	AG0031K5(AGN-PC-0JKE0S)
Chemical Name	1-Piperidinepropanenitrile
EC Number	221-417-6
IUPAC Name	3-piperidin-1-ylpropanenitrile
InChI	InChI=1S/C8H14N2/c9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H2
InChI Key	YZICFVIUVMCCOC-UHFFFAOYSA-N
MDL Number	MFCD00006511
Molecular Formula	C8H14N2
Molecular Weight	138.2102
SMILES	N#CCCN1CCCCC1
Synonyms	3088-41-3, 1-Piperidinepropanenitrile, 3-(piperidin-1-yl)propanenitrile, 1-(2-Cyanoethyl)piperidine, 1-PIPERIDINEPROPIONITRILE, 3-piperidin-1-ylpropanenitrile, 3-Piperidinopropionitrile, beta-Piperidinopropionitrile, 3-(1-Piperidine)propionitrile, BRN 0107858, 3-(piperidin-1-yl)propionitrile, EINECS 221-417-6, 3-(N-Piperidino)propionitrile, AI3-33248, YZICFVIUVMCCOC-UHFFFAOYSA-N, MFCD00006511, 3-piperidylpropanenitrile, 3-Piperidinopropanenitrile, 1-Piperidine propionitrile, ACMC-209hj9, AC1L2BU3, SCHEMBL64284, 3-Piperidin-1-ylpropanitrile, 5-20-03-00047 (Beilstein Handbook Reference), .beta.-Piperidinopropionitrile, CHEMBL1193996, DTXSID5062843, CTK1C4889, 3-(1-Piperidinyl)propanenitrile #, ALBB-004597, KS-000011RI, ZINC2032759, ANW-26995, BBL015064, SBB030489, STK397830, AKOS000178246, ACN-051161, AS-5631, MCULE-6746131809, VZ34256, AJ-32951, AB0003430, DB-047928, LS-116144, TR-013211, FT-0616364, R1149, ST50658280, Z53115952, InChI=1/C8H14N2/c9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H, Piperidinopropionitrile, C8H14N2, CID18338, c1313, C8-H14-N2,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.116g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	138.214g/mol
Monoisotopic Mass	138.116g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	27A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H301+H311+H331-H315-H319
Precuationary 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
Siginal words

Certificate of Analysis

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