4-((4-Amino-m-tolyl)butylamino)butane-1-sulphonic acid
Basic information
- CAS
16318-87-9- Standard SMILES
CCCCN(CCCCS(=O)(=O)O)c1ccc(N)c(C)c1- InChIKey
QTAOWEXRKVVCES-UHFFFAOYSA-N- Molecular formula
- C15H26N2O3S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.16641387
Names & identifiers
- Preferred name
- 4-((4-Amino-m-tolyl)butylamino)butane-1-sulphonic acid
- IUPAC
- 4-(4-amino-N-butyl-3-methylanilino)butane-1-sulfonic acid
- English name
- 4-[(4-amino-m-tolyl)butylamino]butane-1-sulphonic acid
- Molecular formula
- C15H26N2O3S
- Molecular weight
- 314.44
Names & synonyms
16318-87-94-((4-Amino-m-tolyl)butylamino)butane-1-sulphonic acid4-[(4-amino-m-tolyl)butylamino]butane-1-sulphonic acidQTAOWEXRKVVCES-UHFFFAOYSA-NEINECS 240-395-94-(4-amino-N-butyl-3-methylanilino)butane-1-sulfonic acidSCHEMBL11081053DTXSID209367964-[(4-amino-3-methylphenyl)(butyl)amino]butane-1-sulfonic acidNS000536174-[(4-Amino-3-methylphenyl)butylamino]-1-butanesulfonic acid1-Butanesulfonic acid, 4-[(4-amino-3-methylphenyl)butylamino]-
Database identifiers
- CAS
16318-87-9- PubChem CID
- 85365
- DTXSID
DTXSID20936796- EC Number
- 240-395-9
- Nikkaji
- J286.864D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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