Cas no 756500-12-6 (tert-butyl 2-amino-3-methylbenzoate)

tert-butyl 2-amino-3-methylbenzoate structure
756500-12-6 structure
Product Name:tert-butyl 2-amino-3-methylbenzoate
CAS No:756500-12-6
MF:C12H17NO2
MW:207.268883466721
MDL:MFCD12766678
CID:549091
PubChem ID:45089760
Update Time:2025-04-19

tert-butyl 2-amino-3-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-amino-3-methyl-, 1,1-dimethylethyl ester
    • Benzoic acid, 2-amino-3-methyl-, 1,1-dimethylethyl ester (9CI)
    • SB78359
    • EN300-301679
    • tert-Butyl2-amino-3-methylbenzoate
    • 2-Methyl-2-propanyl 2-amino-3-methylbenzoate
    • tert-Butyl 2-amino-3-methylbenzoate
    • 756500-12-6
    • tert-butyl 2-amino-3-methylbenzoate
    • MDL: MFCD12766678
    • Inchi: 1S/C12H17NO2/c1-8-6-5-7-9(10(8)13)11(14)15-12(2,3)4/h5-7H,13H2,1-4H3
    • InChI Key: YEWWZQZDWUQMMI-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=C(C)C=1N)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 207.12601
  • Monoisotopic Mass: 207.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 232
  • 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
  • Topological Polar Surface Area: 52.3A^2
  • XLogP3: 3

Experimental Properties

  • PSA: 52.32

tert-butyl 2-amino-3-methylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B750873-10mg
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$ 50.00 2022-06-01
TRC
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Enamine
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