1- (4-methylphenyl) cyclohexanecarbonitrile

CAT: 0024-sc-281889Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-281889Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1206-13-9

Chemical Information

1-(4-Methylphenyl)cyclohexanecarbonitrile

CAS Number	1206-13-9
PubChem CID	71007
IUPAC Name	1-(4-methylphenyl)cyclohexane-1-carbonitrile
Molecular Formula	C14H17N
Molecular Weight	199.29
XLogP	3.9
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	246

SMILES

CC1=CC=C(C=C1)C2(CCCCC2)C#N

InChI

InChI=1S/C14H17N/c1-12-5-7-13(8-6-12)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3

InChIKey

JFUXEEYLCATFIB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1206-13-9

CID: 71007

Formula: C14H17N

MW: 199.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.29
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	199.136099547
Monoisotopic Mass	199.136099547
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	246
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-264598	1- (4-Methoxyphenyl) -1-cyclohexanecarbonitrile
sc-234447	Cyclohexanecarbonitrile
sc-281943	1- (dimethylamino) cyclohexanecarbonitrile
sc-237651	1,1'-Azobis (cyclohexanecarbonitrile)
sc-273102	1- (Chloromethyl) cyclohexanecarbonitrile
sc-273113	1- (methylamino) cyclohexanecarbonitrile
sc-333563A	1-[4- (chloroacetyl) piperazin-1-yl]cyclohexanecarbonitrile
sc-333563	1-[4- (chloroacetyl) piperazin-1-yl]cyclohexanecarbonitrile
sc-332142	1- (2-Chloro-4-fluoropenyl) -cyclohexanecarbonitrile
sc-209960	4-Benzyloxy-1-cyclohexanecarbonitrile (cis / trans mixture)

Catalog	Name
SDC65769-01	4- (Trifluoromethyl) cyclohexanecarbonitrile
408146-01	1- (4-Fluorophenyl) cyclohexanecarbonitrile
OR1087205-01	1- (4-methoxybenzoyl) cyclohexanecarbonitrile
OR1008951-01	1- (4-Methoxyphenyl) Cyclohexanecarbonitrile
PC1006440-01	1- (3,4-Difluorophenyl) cyclohexanecarbonitrile
FDA13911-01	4-Oxo-1- (2-pyridinyl) cyclohexanecarbonitrile
VVB68860-01	4-Oxo-1- (3-pyridinyl) -cyclohexanecarbonitrile
YTA92379-01	Trans-4-N-Boc-Aminomethyl-cyclohexanecarbonitrile
MBS6037514-01	4-Benzyloxy-1-cyclohexanecarbonitrile (cis/trans mixture)
B286335	4-Benzyloxy-1-cyclohexanecarbonitrile (cis / trans mixture)