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(1-Methylcyclohexyl) methanamine

CAT: 0127-OR900634-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR900634-01Size:1 g
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CAS Number
3913-98-2
MDL Number
MFCD09607978
Purity
96%
Smiles
CC1(CN)CCCCC1

Chemical Information

(1-Methylcyclohexyl)methanamine
CAS Number3913-98-2
PubChem CID21894525
IUPAC Name(1-methylcyclohexyl)methanamine
Molecular FormulaC8H17N
Molecular Weight127.23
XLogP2.1
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity82
SMILES
CC1(CCCCC1)CN
InChI
InChI=1S/C8H17N/c1-8(7-9)5-3-2-4-6-8/h2-7,9H2,1H3
InChIKey
GFTCKTJDXXDHLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-Methylcyclohexyl)methanamine
CAS: 3913-98-2
CID: 21894525
Formula: C8H17N
MW: 127.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight127.23
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass127.136099547
Monoisotopic Mass127.136099547
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity82.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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