Basic information
- CAS
17091-40-6- Standard SMILES
CC(C)CNCCO- InChIKey
VJWZYGQIJWDACM-UHFFFAOYSA-N- Molecular formula
- C6H15NO
- Average molar mass
- 117.19 g/mol
- Monoisotopic mass
- 117.1153641
Names & identifiers
- Preferred name
- 2-(Isobutylamino)ethanol
- IUPAC
- 2-(2-methylpropylamino)ethanol
- English name
- 2-isobutylaminoethanol
- Molecular formula
- C6H15NO
- Molecular weight
- 117.19
Names & synonyms
2-(Isobutylamino)ethanol17091-40-62-IsobutylaminoethanolEthanol, 2-((2-methylpropyl)amino)-R7PYM6KM6PNSC-30676DTXSID00168972Ethanol, 2-[(2-methylpropyl)amino]-RefChem:1061871DTXCID2091463241-159-82-(2-methylpropylamino)ethanol
Show more names
2-(isobutylamino)ethanol(SALTDATA: HCl)
ETHANOL, 2-(ISOBUTYL)AMINO-MFCD017278532-[(2-methylpropyl)amino]ethan-1-olEINECS 241-159-8NSC 30676BRN 1732709Ethanol, 2-(isobutylamino)-NSC30676
Database identifiers
- CAS
17091-40-6- PubChem CID
- 28264
- DTXSID
DTXSID00168972- UNII
- R7PYM6KM6P
- EC Number
- 241-159-8
- Nikkaji
- J49.837H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 45.8
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 28.94 °C · 28.94°C (estimate)
- Boiling point
- 219.03 °C · 219.03°C (rough estimate)
- Density
- 0.8818 · 0.8818
- refractive index
- 1.4402 · 1.4402
- pka
- 14.81 · 14.81±0.10(Predicted)
- FDA UNII
- 7 PYM6KM6P · R7PYM6KM6P
Chemistry & industry
Suppliers4 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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