Cas no 1189-80-6 (3-Butyn-2-amine,N-(1,1-dimethylethyl)-2-methyl-, hydrochloride (1:1))

3-Butyn-2-amine,N-(1,1-dimethylethyl)-2-methyl-, hydrochloride (1:1) structure
1189-80-6 structure
Product Name:3-Butyn-2-amine,N-(1,1-dimethylethyl)-2-methyl-, hydrochloride (1:1)
CAS No:1189-80-6
MF:C9H18ClN
MW:175.69892168045
CID:169651
PubChem ID:70919
Update Time:2025-04-19

3-Butyn-2-amine,N-(1,1-dimethylethyl)-2-methyl-, hydrochloride (1:1) Chemical and Physical Properties

Names and Identifiers

    • 3-Butyn-2-amine,N-(1,1-dimethylethyl)-2-methyl-, hydrochloride (1:1)
    • N-tert-Butyl-2-methylbut-3-yn-2-amine hydrochloride (1:1)
    • 3-tert-Butylamino-3-methyl-1-butyne hydrochloride
    • DTXSID90922808
    • N-tert-Butyl-2-methylbut-3-yn-2-amine--hydrogen chloride (1/1)
    • 1189-80-6
    • 3-Butyn-2-amine, N-(tert-butyl)-2-methyl-, hydrochloride
    • tert-Butylamine, N-(2-methylbut-3-yn-2-yl)-, hydrochloride
    • Inchi: 1S/C9H17N.ClH/c1-7-9(5,6)10-8(2,3)4;/h1,10H,2-6H3;1H
    • InChI Key: IVMFGZOVVOHYPE-UHFFFAOYSA-N
    • SMILES: Cl.N(C(C#C)(C)C)C(C)(C)C

Computed Properties

  • Exact Mass: 175.11294
  • Monoisotopic Mass: 175.1127773g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 151
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • PSA: 12.03
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