AG003B99

4553-62-2 | 2-Methylpentanedinitrile

AG003B99

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CAS Number	4553-62-2
Catalog Number	AG003B99(AGN-PC-0WA6ZD)
Chemical Name	2-Methylpentanedinitrile
EC Number	224-923-5
IUPAC Name	2-methylpentanedinitrile
InChI	InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3
InChI Key	FPPLREPCQJZDAQ-UHFFFAOYSA-N
MDL Number	MFCD00001875
Molecular Formula	C6H8N2
Molecular Weight	108.1411
SMILES	N#CC(C)CCC#N
UN Number	3276
Synonyms	methylglutaronitrile, MGN cpd, 2-Methylglutaronitrile, 2-METHYLPENTANEDINITRILE, 4553-62-2, Methylglutaronitrile, Methyl glutaronitrile, Pentanedinitrile, 2-methyl-, Diacrylonitrile, 1,3-Dicyanobutane, 2,4-Dicyanobutane, Glutaronitrile, 2-methyl-, Pentanedinitrile, methyl-, 1,5-Valerodinitrile, 2-methyl-, Glutanonitrile, alpha-methyl-, 2-Methyl-1,5-valerodinitrile, CCRIS 4673, HSDB 6502, EINECS 224-923-5, BRN 1741955, alpha-Methylglutarsaeuredinitril [German], FPPLREPCQJZDAQ-UHFFFAOYSA-N, DSSTox_CID_5612, DSSTox_RID_77855, DSSTox_GSID_25612, 28906-50-5, CAS-4553-62-2, Methylpentanedinitrile, alpha-Methylglutarsaeuredinitril, 2-methyglutaronitrile, Glutaronitrile, methyl-, ACMC-1AFRN, AC1L2GSL, 2-Methyl glutarodinitrile, 2-Methyl pentanedinitrile, Pentanedinitrile,2-methyl-, EC 224-923-5, .alpha.-Methylglutaronitrile, SCHEMBL59271, 4-02-00-01990 (Beilstein Handbook Reference), KSC588Q7L, MLS002415741, .alpha.-Methylglutarodinitrile, 2-Methylglutaronitrile, 99%, CHEMBL1414319, DTXSID4025612, CTK4I8875, KS-00000VKH, HMS3039E08, Tox21_201788, Tox21_303174, ANW-30304, MFCD00001875, AKOS015912527, LS-1270, NCGC00091229-01, NCGC00091229-02, NCGC00257011-01, NCGC00259337-01, SMR001370907, TC-119049, FT-0613047, M0331, I14-49162, MGN, UNII-EJX3MSL725, EJX3MSL725, UNII-26WY9442J4, C6H8N2, C6-H8-N2, CID20686, 26WY9442J4,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	108.069g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	108.144g/mol
Monoisotopic Mass	108.069g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311-H330
Packing Group	Ⅲ
Precautionary statements	P260-P280-P284-P301+P310-P310
UN Code	UN 3276

Certificate of Analysis

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