Basic information
- CAS
59338-85-1- Standard SMILES
COC(=O)c1cc(N)c(N)cc1OC- InChIKey
SUSCULWPEGQASI-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.08479225
Names & identifiers
- Preferred name
- Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester
- IUPAC
- methyl 4,5-diamino-2-methoxybenzoate
- English name
- methyl 4,5-diamino-o-anisate
- Molecular formula
- C9H12N2O3
- Molecular weight
- 196.20318
Names & synonyms
59338-85-1Methyl 4,5-diamino-o-anisateRefChem:1079085Benzoic acid, 4,5-diamino-2-methoxy-, methyl ester261-704-3methyl 4,5-diamino-2-methoxybenzoateEINECS 261-704-3SCHEMBL6473999SCHEMBL29424850DTXSID60974758Methyl4,5-diamino-2-methoxybenzoateMFCD09952402
Show more names
2-Methoxy 4,5-Diaminobenzoic acidBENZOIC ACID, 4,5-DIAMINO-2-METHOXY4,5-Diamino-2-methoxybenzoic acid methyl ester
methyl-4,5-diamino-2-methoxybenzoateAKOS006312256methyl 4,5-diamino-2-methoxy-benzoateDB-230761CS-0311859NS00056833F19609EN300-8581836
Database identifiers
- CAS
59338-85-1- PubChem CID
- 101014
- DTXSID
DTXSID60974758- EC Number
- 261-704-3
- Nikkaji
- J308.663A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 420 · 420.0±40.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 3.62 · 3.62±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
苏州亚衍医药科技有限公司17715136450 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
上海启智医药科技有限公司021-54849683 13601642561 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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