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4- (Aminomethyl) cyclohexanamine (cis- and trans- mixture)

CAT: 0127-OR1078446-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1078446-01Size:1 g
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CAS Number
13338-82-4
Synonyms
1-Amino-4- (aminomethyl) cyclohexane
MDL Number
MFCD00049306
Purity
>96.0%
Smiles
C1CC (CCC1CN) N

Chemical Information

4-Aminocyclohexanemethanamine
CAS Number13338-82-4
PubChem CID445021
IUPAC Name4-(aminomethyl)cyclohexan-1-amine
Molecular FormulaC7H16N2
Molecular Weight128.22
XLogP-0.1
Topological Polar Surface Area52
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity75
SMILES
C1CC(CCC1CN)N
InChI
InChI=1S/C7H16N2/c8-5-6-1-3-7(9)4-2-6/h6-7H,1-5,8-9H2
InChIKey
RRCZRUXYTNNVBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Aminocyclohexanemethanamine
CAS: 13338-82-4
CID: 445021
Formula: C7H16N2
MW: 128.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.22
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass128.131348519
Monoisotopic Mass128.131348519
Topological Polar Surface Area52 Ų
Heavy Atom Count9
Formal Charge0
Complexity75
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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