4-Amino-3,5-dimethylbenzoic acid
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4-Amino-3,5-dimethylbenzoic acid
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CAS No:
4919-40-8
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Formula:
C9H11NO2
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Chemical Name:
4-Amino-3,5-dimethylbenzoic acid
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Synonyms:
Benzoic acid,4-amino-3,5-dimethyl-;4-Amino-3,5-dimethylbenzoic acid;3,5-Dimethyl-4-aminobenzoic acid;NSC 38033
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CAS No:
4-Amino-3,5-dimethylbenzoic acid Use and Manufacturing
3, 5-dimethyl-4-nitrobenzoic acid (976 mg, 5 mmol) was suspended in water (20 mL) under vigorously stirring for 30 min, until mixture was homogenized); Na3, 5-Dimethyl-4-(1-pyrrolo)benzoylguanidine hydrochloride is prepared according to general protocol A from 3, 5-dimethyl-4-(1-pyrrolo)benzoic acid, colorless crystals, m.p. 261-263 C. 3, 5-Dimethyl-4-(1-pyrrolo)benzoic acid (m.p. 197-200 C.) is obtained from 3, 5-dimethyl-4-aminobenzoic acid according to the general protocol for the preparation of 4-(1-pyrrolo)-benzoic acids. General protocol for the preparation of 4-[4-(1, 2, 4-triazolyl)]benzoic acids
Computed Properties
Molecular Weight:165.19
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:165.078978594
Monoisotopic Mass:165.078978594
Topological Polar Surface Area:63.3
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Amino-3,5-dimethylbenzoic acid
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