1,2-Diaminocyclohexane

CAT: 0127-OR48276-01Size: 250 gDry Ice: NoHazardous: No

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CAT#:0127-OR48276-01Size:250 g

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CAS Number

694-83-7

Synonyms

Cyclohexane-1,2-diamine, DACH

MDL Number

MFCD00001491

Purity

=95%

Smiles

NC1CCCCC1N

Additionnal Information

Mixture of isomers

Chemical Information

1,2-Diaminocyclohexane

Cyclohexane-1,2-diamine is a primary aliphatic amine.

CAS Number	694-83-7
PubChem CID	4610
IUPAC Name	cyclohexane-1,2-diamine
Molecular Formula	C6H14N2
Molecular Weight	114.19
XLogP	-0.3
Topological Polar Surface Area	52
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	62

SMILES

C1CCC(C(C1)N)N

InChI

InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2

InChIKey

SSJXIUAHEKJCMH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 694-83-7

CID: 4610

Formula: C6H14N2

MW: 114.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.19
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	114.115698455
Monoisotopic Mass	114.115698455
Topological Polar Surface Area	52 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	62.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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