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1241684-26-3 | 4-Cyclohexene-1,2-diamine, (1S,2S)-
CAS No: 1241684-26-3 Catalog No: AG000LLZ MDL No:MFCD16876056
Product Description
Catalog Number:
AG000LLZ
Chemical Name:
4-Cyclohexene-1,2-diamine, (1S,2S)-
CAS Number:
1241684-26-3
Molecular Formula:
C6H12N2
Molecular Weight:
112.1729
MDL Number:
MFCD16876056
IUPAC Name:
(1S,2S)-cyclohex-4-ene-1,2-diamine
InChI:
InChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h1-2,5-6H,3-4,7-8H2/t5-,6-/m0/s1
InChI Key:
ZDENNVQHCXLZDN-WDSKDSINSA-N
SMILES:
N[C@H]1CC=CC[C@@H]1N
Properties
Complexity:
86.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
112.1g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.176g/mol
Monoisotopic Mass:
112.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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