1-Butanesulfonic acid, 4-((4-amino-3-methylphenyl)(1-methylethyl)amino)-
Basic information
- CAS
64919-33-1- Standard SMILES
Cc1cc(N(CCCCS(=O)(=O)O)C(C)C)ccc1N- InChIKey
HZRWZAHROYMMFW-UHFFFAOYSA-N- Molecular formula
- C14H24N2O3S
- Average molar mass
- 300.42 g/mol
- Monoisotopic mass
- 300.15076381
Names & identifiers
- Preferred name
- 1-Butanesulfonic acid, 4-((4-amino-3-methylphenyl)(1-methylethyl)amino)-
- IUPAC
- 4-(4-amino-3-methyl-N-propan-2-ylanilino)butane-1-sulfonic acid
- English name
- 4-[(4-amino-m-tolyl)(isopropyl)amino]butane-1-sulphonic acid
- Molecular formula
- C14H24N2O3S
- Molecular weight
- 300.42
Names & synonyms
EINECS 265-274-81-Butanesulfonic acid, 4-[(4-amino-3-methylphenyl)(1-methylethyl)amino]-DTXSID7070135N-Isopropyl-N-(omega-sulfobutyl)-4-amino-3-methylaniline1-Butanesulfonic acid, 4-((4-amino-3-methylphenyl)(1-methylethyl)amino)-RefChem:430856DTXCID704439664919-33-14-((4-Amino-m-tolyl)(isopropyl)amino)butane-1-sulphonic acidSCHEMBL10768428HZRWZAHROYMMFW-UHFFFAOYSA-N4-[(4-Amino-3-methylphenyl)(propan-2-yl)amino]butane-1-sulfonic acid
Show more names
4-[(4-Amino-m-tolyl)(isopropyl)amino]butane-1-sulfonic acid4-[(4-amino-m-tolyl)(isopropyl)amino]butane-1-sulphonic acid4-[(4-Amino-3-methylphenyl)(1-methylethyl)amino]-1-butanesulfonic acid
NS00035759
Database identifiers
- CAS
64919-33-1- PubChem CID
- 103045
- DTXSID
DTXSID7070135- EC Number
- 265-274-8
- Nikkaji
- J286.605F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- pka
- 1.68 · 1.68±0.50(Predicted)
- EPA Substance Registry System
- 1 · 1-Butanesulfonic acid, 4-[(4-amino-3-methylphenyl)(1-methylethyl)amino]- (64919-33-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1-Butanesulfonic acid, 4-[(4-amino-3-methylphenyl)(1-methylethyl)amino]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Butanesulfonic acid, 4-[(4-amino-3-methylphenyl)(1-methylethyl)amino]-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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