Basic information
- CAS
2421-02-5- Standard SMILES
CCC(O)CN(CC(O)CC)CC(O)CC- InChIKey
BFIAIMMAHAIVFT-UHFFFAOYSA-N- Molecular formula
- C12H27NO3
- Average molar mass
- 233.35 g/mol
- Monoisotopic mass
- 233.19909372
Names & identifiers
- Preferred name
- 2-Butanol, 1,1',1''-nitrilotris-
- IUPAC
- 1-[bis(2-hydroxybutyl)amino]butan-2-ol
- English name
- Tributanolamine
- Molecular formula
- C12H27NO3
- Molecular weight
- 233.35
Names & synonyms
2421-02-5TributanolamineTris(sec-butanolamine)2-Butanol, 1,1',1''-nitrilotris-1,1',1'-Nitrilotris-2-butanol1,1',1''-Nitrilotris-2-butanolRefChem:4673451,1',1''-NITRILOTRI-2-BUTANOL2-BUTANOL, 1,1',1''-NITRILOTRI-1-[bis(2-hydroxybutyl)amino]butan-2-ol1-[Bis(2-hydroxybutyl)amino]-2-butanol1,1',1''-Nitrilotris(butan-2-ol)
Show more names
starbld0032853SCHEMBL81188DTXSID20871870BFIAIMMAHAIVFT-UHFFFAOYSA-NAC9238MFCD319778761,1',1''-Nitrilotri(butan-2-ol)SY249999
Database identifiers
- CAS
2421-02-5- PubChem CID
- 17024
- DTXSID
DTXSID20871870
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 41 °C · 41 °C
- Boiling point
- 310 °C · 310 °C
- Density
- 1.025 · 1.025±0.06 g/cm3(Predicted)
- pka
- 14.3 · 14.30±0.20(Predicted)
- EPA Substance Registry System
- 1 · 1,1',1"-Nitrilotris-2-butanol (2421-02-5)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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