1,3,5-Cyclohexanetricarbonitrile

CAT: 0127-OR933204-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR933204-02Size:250 mg

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CAS Number

168280-46-4

MDL Number

MFCD08276327

Purity

98%

Smiles

N#CC1CC(CC(C1)C#N)C#N

Chemical Information

(1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetricarbonitrile

CAS Number	168280-46-4
PubChem CID	11423741
IUPAC Name	cyclohexane-1,3,5-tricarbonitrile
Molecular Formula	C9H9N3
Molecular Weight	159.19
XLogP	0.2
Topological Polar Surface Area	71.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	240

SMILES

C1C(CC(CC1C#N)C#N)C#N

InChI

InChI=1S/C9H9N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h7-9H,1-3H2

InChIKey

VMUOSHREZKXCIV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 168280-46-4

CID: 11423741

Formula: C9H9N3

MW: 159.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.19
XLogP3	0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	159.079647300
Monoisotopic Mass	159.079647300
Topological Polar Surface Area	71.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	240
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
OR76191-01	3,3'',5,5''-Tetrabromo-5'- (3,5-dibromophenyl) -1,1':3',1''-terphenyl
OR1040392-01	5'- (3,5-Diformylphenyl) -[1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarbaldehyde
OR1034812-01	1,1,3,3,5,5-Hexaethoxy-1,3,5-trisilacyclohexane
OR1061527-01	5',5''-Bis (3,5-dicarboxyphenyl) -[1,1':3',1'':3'',1'''-quaterphenyl]-3,3''',5,5'''-tetracarboxylic acid
OR1008997	1,1,1,3,3,5,5-Heptamethyltrisiloxane
OR1009009-01	1,1,3,3,5,5-Hexamethyltrisiloxane
OR1068687-01	1,1,3,3,5,5-Hexaethylcyclotrisiloxane
OR1068853-01	1,1,1,3,5,5,5-Heptamethyl-3-octyltrisiloxane
OR1028120-01	1,1,3,3,5,5-Hexamethyl-1,5-Divinyltrisiloxane
OR1053448-01	1,1,3,3,5,5-Hexamethyl-1,5-diphenyltrisiloxane

Catalog	Name
sc-486221	(1alpha,3alpha,5alpha) -1,3,5-Cyclohexanetricarbonitrile
sc-487017	1,3,5-Cyclohexanetricarbonitrile (cis- and trans- mixture)
SAA95567-01	1,1,3,3,5,5-Hexaethoxy-1,3,5-trisilacyclohexane
sc-487559	(1α,3α,5α) -1,3,5-Cyclohexanetriol
sc-222764A	1,1,3,3,5,5-Hexamethyltrisiloxane
TRC-H296725-10MG	1,1,3,3,5,5-Hexamethyltrisiloxane-1,5-diol
sc-224957	1,5-Dibromo-1,1,3,3,5,5-hexafluoropentane
T32553	1,3,5-Trivinyl-1,1,3,5,5-pentamethyltrisiloxane
sc-492108	1,3,3,5-Tetramethyl-1,1,5,5-tetraphenyltrisiloxane
sc-487341	1,1,1,3,5,5,5-Heptamethyl-3- (3-glycidyloxypropyl) trisiloxane