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Home> Encyclopedia > Hot Product Listed T   > Trans-N1,N1-diMethylcyclohexane-1,2-diaMine-2HCl
1234860-01-5 structure

Trans-N1,N1-diMethylcyclohexane-1,2-diaMine-2HCl

Iupac Name:(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride
CAS No.:1234860-01-5
Molecular Weight:215.162
Molecular Formula:C8H20Cl2N2 (isomer)
Names and Identifiers
Synonyms

(1s,2s)-n1,n1-dimethylcyclohexane-1,2-diamine dihydrochloride 4485AA A-6771 AKOS015899308 BG01520904 I14-12099 ST2402076 trans-N1,N1-DiMethylcyclohexane-1,2-diaMine dihydrochloride

Inchi
InChI=1S/C8H18N2.2ClH/c1-10(2)8-6-4-3-5-7(8)9;;/h7-8H,3-6,9H2,1-2H3;2*1H/t7-,8-;;/m0../s1
InChkey
BZJVMZDYSWJIIG-FOMWZSOGSA-N
Canonical Smiles
CN(C)C1CCCCC1N.Cl.Cl
Computational chemical data
  • Molecular Weight:215.162g/mol
  • Molecular Formula:C8H20Cl2N2
  • Compound Is Canonicalized:True
  • Exact Mass:214.1
  • Monoisotopic Mass:214.1
  • Complexity:101
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.3A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADceBzAAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHAAQAAAACCjBAAQCAANAAAAA AAAAAAAAAAAAAAAAAIAIAAAAQAIAgAAUAAAAEAAAAAEQAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAA AA==
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