Basic information
- CAS
13066-95-0- Standard SMILES
Nc1ccc(O)cc1O- InChIKey
ROCVGJLXIARCAC-UHFFFAOYSA-N- Molecular formula
- C6H7NO2
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.04767846
Names & identifiers
- Preferred name
- 4-Aminoresorcinol
- IUPAC
- 4-aminobenzene-1,3-diol
- English name
- 4-aminobenzene-1,3-diol
- Molecular formula
- C6H7NO2
- Molecular weight
- 125.13
Names & synonyms
13066-95-04-Aminoresorcinol1,3-Benzenediol, 4-amino-4-Amino-1,3-benzenediolDTXSID10156668RefChem:1070331DTXCID3079159926-905-94-aminobenzene-1,3-diol2,4-dihydroxyanilineCHEMBL2701974-Aminoresorcin
Show more names
4-amino resorcinol2-aminobenzene-1,5-diolaniline, 2,4-dihydroxy-4-Amino-1,3-benzenediol #SCHEMBL593274E6V98Q4VH2SCHEMBL2000518SCHEMBL3114019
Database identifiers
- CAS
13066-95-0- PubChem CID
- 432827
- DTXSID
DTXSID10156668- ChEMBL
CHEMBL270197- UNII
- E6V98Q4VH2
- EC Number
- 926-905-9
- Nikkaji
- J693.728D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- Melting point
- 218 °C · 218 °C
- Boiling point
- 345.2 · 345.2±12.0 °C(Predicted)
- Density
- 1.412 · 1.412±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 9.54 · 9.54±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P280
Chemistry & industry
Suppliers7 total
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
15 records
Compound notes
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