Basic information
- CAS
120337-90-8- Standard SMILES
CCCCNc1ccc(C(=O)O)cc1N- InChIKey
YIFVEIGEGOLPSZ-UHFFFAOYSA-N- Molecular formula
- C11H16N2O2
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.12117775
Names & identifiers
- Preferred name
- 3-Amino-4-(butylamino)benzoic acid
- IUPAC
- 3-amino-4-(butylamino)benzoic acid
- English name
- Benzoic acid, 3-amino-4-(butylamino)- (9CI)
- Molecular formula
- C11H16N2O2
- Molecular weight
- 208.26
Names & synonyms
3-Amino-4-(butylamino)benzoic acid120337-90-8Benzoic acid, 3-amino-4-(butylamino)- (9CI)3-amino-4-butylamino-benzoic AcidBenzoic acid, 3-amino-4-(butylamino)-SCHEMBL9525197DTXSID00468409YIFVEIGEGOLPSZ-UHFFFAOYSA-N3-Amino-4-(butylamino)benzoicacidAKOS010216349SB78525DB-274522
Show more names
CS-0297700EN300-1116065
Database identifiers
- CAS
120337-90-8- PubChem CID
- 11550233
- DTXSID
DTXSID00468409- Nikkaji
- J926.140K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 406.6 · 406.6±40.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.91 · 3.91±0.10(Predicted)
Chemistry & industry
Suppliers2 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
5 records
Compound notes
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