Cas no 49863-08-3 (3-tert-Butylhexane-1,6-diamine)

3-tert-Butylhexane-1,6-diamine structure
49863-08-3 structure
Product Name:3-tert-Butylhexane-1,6-diamine
CAS No:49863-08-3
MF:C10H24N2
MW:172.310962677002
CID:2950617
Update Time:2026-04-28

3-tert-Butylhexane-1,6-diamine Chemical and Physical Properties

Names and Identifiers

    • 3-(叔丁基)-1,6-己二胺
    • 3-tert-Butylhexane-1,6-diamine
    • Inchi: 1S/C10H24N2/c1-10(2,3)9(6-8-12)5-4-7-11/h9H,4-8,11-12H2,1-3H3
    • InChI Key: KHSGWEBWAURKHZ-UHFFFAOYSA-N
    • SMILES: N([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])C([H])([H])N([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 105
  • XLogP3: 1.4
  • Topological Polar Surface Area: 52

Experimental Properties

  • Density: 0.855
  • Boiling Point: 237 oC
  • Flash Point: 112 oC
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