1- (Methylamino) cyclohexanecarbonitrile

CAT: 0926-GAA28940-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-GAA28940-01Size:1 g

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CAS Number

6289-40-3

MDL Number

MFCD00972028

Smiles

COC (=O) C1=CC (=CC=C1) [Sb] (=O) (O) O

Molecular Formula

C8H14N2

Molecular Weight

138.21 g/mol

Controlled

Chemical Information

1-(Methylamino)cyclohexane-1-carbonitrile

CAS Number	6289-40-3
PubChem CID	94865
IUPAC Name	1-(methylamino)cyclohexane-1-carbonitrile
Molecular Formula	C8H14N2
Molecular Weight	138.21
XLogP	1.2
Topological Polar Surface Area	35.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	148

SMILES

CNC1(CCCCC1)C#N

InChI

InChI=1S/C8H14N2/c1-10-8(7-9)5-3-2-4-6-8/h10H,2-6H2,1H3

InChIKey

DSMAHJDZYJDGTD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6289-40-3

CID: 94865

Formula: C8H14N2

MW: 138.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.21
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	138.115698455
Monoisotopic Mass	138.115698455
Topological Polar Surface Area	35.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	148
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
SDC65769-01	4- (Trifluoromethyl) cyclohexanecarbonitrile
FDA13911-01	4-Oxo-1- (2-pyridinyl) cyclohexanecarbonitrile
VVB68860-01	4-Oxo-1- (3-pyridinyl) -cyclohexanecarbonitrile
WBA00011-01	1- (Methylamino) isoquinoline
FM38720	1- (Methylamino) adamantane
FCA79349-01	1- (Methylamino) cyclopentane-1-carbonitrile
EXB87843-01	1- (Methylamino) cyclopentane-1-carboxamide
UTB07211-01	[1- (Methylamino) cyclopentyl]methanol
YTA92379-01	Trans-4-N-Boc-Aminomethyl-cyclohexanecarbonitrile
BAC39167-01	1- (Methylamino) cyclobutane-1-carboxylic acid

Catalog	Name
OR953808-01	1- (Methylamino) cyclohexanecarbonitrile
OR27707-01	Cyclohexanecarbonitrile
C30175-01	Cyclohexanecarbonitrile 98%
OR1083995-01	1- (Cyclohexylthio) cyclohexanecarbonitrile
OR1093643-01	1-ethyl-Cyclohexanecarbonitrile
OR27708-01	1- (Chloromethyl) cyclohexanecarbonitrile
OR1093061-01	1- (Ethylthio) cyclohexanecarbonitrile
OR1092289-01	1-acetyl-Cyclohexanecarbonitrile
OR1079576-01	1- (Cyanomethyl) Cyclohexanecarbonitrile
sc-281943	1- (dimethylamino) cyclohexanecarbonitrile