Cas no 121649-61-4 (Benzoic acid,3,4-diamino-, 1-methylethyl ester)

Benzoic acid,3,4-diamino-, 1-methylethyl ester structure
121649-61-4 structure
Product Name:Benzoic acid,3,4-diamino-, 1-methylethyl ester
CAS No:121649-61-4
MF:C10H14N2O2
MW:194.230362415314
CID:104676
PubChem ID:14471155
Update Time:2025-04-18

Benzoic acid,3,4-diamino-, 1-methylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3,4-diamino-, 1-methylethyl ester
    • Benzoic acid, 3,4-diamino-, 1-methylethyl ester (9CI)
    • propan-2-yl 3,4-diaminobenzoate
    • SCHEMBL2928248
    • AKOS027396182
    • BS-14552
    • Isopropyl3,4-diaminobenzoate
    • C71802
    • 121649-61-4
    • Isopropyl 3,4-diaminobenzoate
    • CS-0161198
    • WEA64961
    • DB-430516
    • Inchi： 1S/C10H14N2O2/c1-6(2)14-10(13)7-3-4-8(11)9(12)5-7/h3-6H,11-12H2,1-2H3
    • InChI Key： CRICWBSRSIVCOV-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC(=C(C=1)N)N)=O)C(C)C

Computed Properties

  • Exact Mass: 194.10562
  • Monoisotopic Mass: 194.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 206
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 78.3?2

Experimental Properties

  • PSA: 78.34

Benzoic acid,3,4-diamino-, 1-methylethyl ester Pricemore >>

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