Basic information
- CAS
54596-69-9- Standard SMILES
CCCCCCNCCO- InChIKey
MCIKGVLBLIZYRY-UHFFFAOYSA-N- Molecular formula
- C8H19NO
- Average molar mass
- 145.24 g/mol
- Monoisotopic mass
- 145.14666423
Names & identifiers
- Preferred name
- 2-(Hexylamino)ethanol
- IUPAC
- 2-(hexylamino)ethanol
- English name
- 2-(Hexylamino)ethanol
- Molecular formula
- C8H19NO
- Molecular weight
- 145.24
Names & synonyms
2-(Hexylamino)ethanol2-(hexylamino)ethan-1-ol54596-69-92-HexylaminoethanolEthanol, 2-(hexylamino)-EINECS 259-251-12-(Hexylamino)ethanol #SCHEMBL818323SCHEMBL7712298SCHEMBL7964971SCHEMBL29119026DTXSID70866433
Show more names
N-HexylethanolamineTIMTEC-BB SBB0078792-(hexylamino)-ethanoN-(2-Hydroxyethyl)hexylamine
ECA59669SBB007879AKOS009060248CS-0249334NS00056750ST51046051EN300-43145G26084
Database identifiers
- CAS
54596-69-9- PubChem CID
- 108610
- DTXSID
DTXSID70866433- EC Number
- 259-251-1
- Nikkaji
- J266.922F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 57.2
Physicochemical properties
- Boiling point
- 231 °C · 231 °C
- Density
- 0.8829 g/cm3 · 0.8829 g/cm3
- pka
- 14.83 · 14.83±0.10(Predicted)
Chemistry & industry
Suppliers5 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
2 records
Compound notes
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