AG003DG9

4379-04-8 | 1,3,5-Pentanetricarbonitrile

AG003DG9

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CAS Number	4379-04-8
Catalog Number	AG003DG9(AGN-PC-0JNR5W)
Chemical Name	1,3,5-Pentanetricarbonitrile
IUPAC Name	pentane-1,3,5-tricarbonitrile
InChI	InChI=1S/C8H9N3/c9-5-1-3-8(7-11)4-2-6-10/h8H,1-4H2
InChI Key	RXIMZKYZCDNHPG-UHFFFAOYSA-N
MDL Number	MFCD09038542
Molecular Formula	C8H9N3
Molecular Weight	147.1772
NSC Number	75083
SMILES	N#CCCC(C#N)CCC#N
Synonyms	1,3,5-Pentanetricarbonitrile, 4379-04-8, pentane-1,3,5-tricarbonitrile, 1,3,5-Tricyanopentane, NSC75083, 4-Cyanoheptanedinitrile, 1,5-Pentanetricarbonitrile, 1,3,5-Tri-cyano-pentan, AC1L5MV7, SCHEMBL59372, ACMC-2097f8, AC1Q4S61, CTK1D8725, DTXSID70291367, ZINC1673317, ANW-13890, MFCD09038542, NSC-75083, AKOS006344982, TR-016974, P1631, I14-62354, KST-1A9492, AR-1B6230, CID252838, 7248-04-6,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.08g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	147.181g/mol
Monoisotopic Mass	147.08g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	71.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H301+H311+H331-H315-H319
Packing Group
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	\N

Certificate of Analysis

Lot Number