Tetramethylsuccinonitrile

CAT: 0024-sc-475560Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-475560Size:25 g

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CAS Number

3333-52-6

Chemical Information

2,2,3,3-Tetramethylbutanedinitrile

Tetramethylsuccinonitrile appears as white crystals. (NTP, 1992)

CAS Number	3333-52-6
PubChem CID	18745
IUPAC Name	2,2,3,3-tetramethylbutanedinitrile
Molecular Formula	C8H12N2
Molecular Weight	136.19
XLogP	1.5
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	192

SMILES

CC(C)(C#N)C(C)(C)C#N

InChI

InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3

InChIKey

ZVQXQPNJHRNGID-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3333-52-6

CID: 18745

Formula: C8H12N2

MW: 136.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.19
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	136.100048391
Monoisotopic Mass	136.100048391
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	192
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
RG-T052036-01	2,2,3,3-Tetramethylsuccinonitrile