Cas no 856563-12-7 ((1S)-1-(2,4-dimethylphenyl)ethan-1-amine)

(1S)-1-(2,4-dimethylphenyl)ethan-1-amine structure
856563-12-7 structure
Product Name:(1S)-1-(2,4-dimethylphenyl)ethan-1-amine
CAS No:856563-12-7
MF:C10H15N
MW:149.232802629471
MDL:MFCD12757576
CID:720351
PubChem ID:40433458
Update Time:2024-10-26

(1S)-1-(2,4-dimethylphenyl)ethan-1-amine Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine, a,2,4-trimethyl-, (aS)-
    • (S)-1-(2,4-Dimethylphenyl)ethanamine hydrochloride
    • (S)-1-(2,4-DIMETHYLPHENYL)ETHANAMINE-HCL
    • Benzenemethanamine,a,2,4-trimethyl-, (aS)-
    • (S)-1-(2,4-DIMETHYLPHENYL)ETHANAMINE
    • (1S)-1-(2,4-dimethylphenyl)ethanamine
    • (1S)-1-(2,4-dimethylphenyl)ethan-1-amine
    • (S)-1-(2,4-DIMETHYLPHENYL)ETHAN-1-AMINE
    • (1S)-1-(2,4-dimethylphenyl)ethylamine
    • [S,(?)]-alpha,2,4-Trimethylbenzylamine
    • Benzenemethanamine,a,2,4-trimethyl-,(as)-
    • A841393
    • (1S)-1-(2,4-dimethylphenyl)ethanamine hydrochloride
    • (αS)-α,2,4-Trimethylbenzenemethanamine (ACI)
    • AKOS015840033
    • EN300-58741
    • AKOS010396849
    • CS-0000368
    • Y11487
    • SCHEMBL14168844
    • DTXSID701006244
    • 856563-12-7
    • Benzenemethanamine, ,2,4-trimethyl-, (S)-
    • MDL: MFCD12757576
    • Inchi: 1S/C10H15N/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6,9H,11H2,1-3H3/t9-/m0/s1
    • InChI Key: LFJDRMQPKZCUNL-VIFPVBQESA-N
    • SMILES: [C@H](C1C=CC(C)=CC=1C)(N)C

Computed Properties

  • Exact Mass: 149.12000
  • Monoisotopic Mass: 149.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 122
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26
  • XLogP3: 1.9

Experimental Properties

  • Density: 0.937
  • Boiling Point: 232.2°C at 760 mmHg
  • Flash Point: 96.3°C
  • Refractive Index: 1.527
  • PSA: 26.02000
  • LogP: 3.02340

(1S)-1-(2,4-dimethylphenyl)ethan-1-amine Security Information

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