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Home > Encyclopedia > Benzoic acid, 2-amino-4-(1,1-dimethylethyl)-, methyl ester (9CI)

Benzoic acid, 2-amino-4-(1,1-dimethylethyl)-, methyl ester (9CI)

Benzoic acid, 2-amino-4-(1,1-dimethylethyl)-, methyl ester (9CI) structure

Benzoic acid, 2-amino-4-(1,1-dimethylethyl)-, methyl ester (9CI) 

structure
  • CAS No:

    717879-44-2

  • Formula:

    C12H17NO2

  • Chemical Name:

    Benzoic acid, 2-amino-4-(1,1-dimethylethyl)-, methyl ester (9CI)

  • Synonyms:

    Methyl 2-amino-4-(2-methyl-2-propanyl)benzoate;SCHEMBL16418929;ZINC5481530;DB-101358;METHYL 2-AMINO-4-TERT-BUTYLBENZOATE

Benzoic acid, 2-amino-4-(1,1-dimethylethyl)-, methyl ester (9CI) Basic Attributes

207.26888

207.126

Characteristics

52.3

3.6

1.055±0.06 g/cm3(Predicted)

Computed Properties

Molecular Weight:207.27
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:207.125928785
Monoisotopic Mass:207.125928785
Topological Polar Surface Area:52.3
Heavy Atom Count:15
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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