Cas no 1172415-72-3 (3-Amino-4-cyclohexylbutyric acid methyl ester hydrochloride)

3-Amino-4-cyclohexylbutyric acid methyl ester hydrochloride structure
1172415-72-3 structure
Product Name:3-Amino-4-cyclohexylbutyric acid methyl ester hydrochloride
CAS No:1172415-72-3
MF:C11H22ClNO2
MW:235.75088262558
CID:2625827
PubChem ID:42614491
Update Time:2025-04-21

3-Amino-4-cyclohexylbutyric acid methyl ester hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-Amino-4-cyclohexylbutyric acid methyl ester hydrochloride
    • Methyl 3-Amino-4-cyclohexylbutanoate hydrochloride
    • A57828
    • 1172415-72-3
    • methyl 3-amino-4-cyclohexylbutanoate;hydrochloride
    • Methyl3-Amino-4-cyclohexylbutanoatehydrochloride
    • 3-Amino-4-cyclohexyl-butyric acid methyl ester HCl
    • MDL: MFCD06740375
    • Inchi: 1S/C11H21NO2.ClH/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9;/h9-10H,2-8,12H2,1H3;1H
    • InChI Key: CTOCUBIANLEPIF-UHFFFAOYSA-N
    • SMILES: Cl.O(C)C(CC(CC1CCCCC1)N)=O

Computed Properties

  • Exact Mass: 235.1339066Da
  • Monoisotopic Mass: 235.1339066Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 176
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.3?2

3-Amino-4-cyclohexylbutyric acid methyl ester hydrochloride Pricemore >>

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