1,6-Dicyanohexane

CAT: 0024-sc-237787Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-237787Size:100 g

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CAS Number

629-40-3

Chemical Information

Octanedinitrile

CAS Number	629-40-3
PubChem CID	12385
IUPAC Name	octanedinitrile
Molecular Formula	C8H12N2
Molecular Weight	136.19
XLogP	0.6
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	135

SMILES

C(CCCC#N)CCC#N

InChI

InChI=1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2

InChIKey

BTNXBLUGMAMSSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 629-40-3

CID: 12385

Formula: C8H12N2

MW: 136.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.19
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	136.100048391
Monoisotopic Mass	136.100048391
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	135
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-220153	Sucrose-1,1,6,6,6',6'-d6
sc-220153A	Sucrose-1,1,6,6,6',6'-d6
sc-287269	1,6-Diaminohexane-1,1,6,6-d4
sc-287271	1,6,20,25-Tetraaza[6.1.6.1]paracyclophane
sc-351257	6-amino-1λ{6}-benzothiophene-1,1-dione
sc-351257A	6-amino-1λ{6}-benzothiophene-1,1-dione
sc-474926	1′,6,6′-Trichloro Sucrose
sc-255884	1,1,1,5,5,6,6,6-Octafluoro-2,4-hexanedione
sc-303924	1,1,6-Trifluoroindan
sc-227104	6,6'-Dibromo-1,1'-bi-2-naphthol