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Trans-4-Methylcyclohexan-1-amine

CAT: 0127-OR59320-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR59320-01Size:5 g
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CAS Number
2523-55-9
Synonyms
Trans-1-Amino-4-methylcyclohexane
MDL Number
MFCD06411232
Purity
97%
Smiles
C[C@@H]1CC[C@@H](N)CC1

Chemical Information

4-Methylcyclohexylamine

4-Methylcyclohexylamine is an amine.

CAS Number2523-55-9
PubChem CID80604
IUPAC Name4-methylcyclohexan-1-amine
Molecular FormulaC7H15N
Molecular Weight113.20
XLogP1.5
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity62
SMILES
CC1CCC(CC1)N
InChI
InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3
InChIKey
KSMVBYPXNKCPAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methylcyclohexylamine
CAS: 2523-55-9
CID: 80604
Formula: C7H15N
MW: 113.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight113.20
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass113.120449483
Monoisotopic Mass113.120449483
Topological Polar Surface Area26 Ų
Heavy Atom Count8
Formal Charge0
Complexity62.8
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