1,2-Cyclohexanediamine, (1S,2S)-


Chemical Name: 1,2-Cyclohexanediamine, (1S,2S)-
CAS Number: 21436-03-3
Product Number: AG003BIL(AGN-PC-0O7UTX)
Synonyms:
MDL No: MFCD00062986
Molecular Formula: C6H14N2
Molecular Weight: 114.1888

Identification/Properties


Properties
MP:
40-43 °C(lit.);
BP:
104-110°C at 40 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Air Sensitive
Refractive Index:
1.4886
Computed Properties
Molecular Weight:
114.192g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
114.116g/mol
Monoisotopic Mass:
114.116g/mol
Topological Polar Surface Area:
52A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
62.9
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H317-H319
Precautionary Statements:
P305+P351+P338-P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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