5-Amino-3-methoxy-4-methylbenzoic acid methyl ester
Basic information
- CAS
69660-37-3- Standard SMILES
COC(=O)c1cc(N)c(C)c(OC)c1- InChIKey
LRFGDXCXNZOUAS-UHFFFAOYSA-N- Molecular formula
- C10H13NO3
- Average molar mass
- 195.21 g/mol
- Monoisotopic mass
- 195.08954328
Names & identifiers
- Preferred name
- 5-Amino-3-methoxy-4-methylbenzoic acid methyl ester
- IUPAC
- methyl 3-amino-5-methoxy-4-methylbenzoate
- English name
- 5-AMINO-3-METHOXY-4-METHYLBENZOIC ACID METHYL ESTER
- Molecular formula
- C10H13NO3
- Molecular weight
- 195.22
Names & synonyms
69660-37-35-Amino-3-methoxy-4-methylbenzoic acid methyl estermethyl 3-amino-5-methoxy-4-methylbenzoateSCHEMBL8040178DTXSID20563682DB-0742013-Amino-5-methoxy-4-methyl-benzoic acid methyl esterBenzoic acid, 3-amino-5-methoxy-4-methyl-, methyl ester
Database identifiers
- CAS
69660-37-3- PubChem CID
- 14760985
- DTXSID
DTXSID20563682
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 341.2 · 341.2±37.0 °C(Predicted)
- Density
- 1.149 · 1.149±0.06 g/cm3(Predicted)
- pka
- 2.88 · 2.88±0.10(Predicted)
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Related reactions
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Compound notes
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