Basic information
- CAS
134566-79-3- Standard SMILES
CCC(CO)NCCNC(CC)CO- InChIKey
AEUTYOVWOVBAKS-UHFFFAOYSA-N- Molecular formula
- C10H24N2O2
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.18377801
Overview
2-[2-(1-hydroxybutan-2-ylamino)ethylamino]-1-butanol is an amino alcohol.
Names & identifiers
- Preferred name
- (2R)-2-[(2-{[(2R)-1-Hdroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochloride
- IUPAC
- 2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol
- English name
- 2,2'-(Ethylenediimino)di-1-butanol
- Molecular formula
- C10H24N2O2
- Molecular weight
- 204.31
Names & synonyms
(2R)-2-((2-(((2R)-1-Hdroxybutan-2-yl)amino)ethyl)amino)butan-1-ol dihydrochloride(2R)-2-[(2-{[(2R)-1-Hdroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochlorideRefChem:396963111-024-7134566-79-32-({2-[(1-hydroxybutan-2-yl)amino]ethyl}amino)butan-1-ol3577-94-4MLS000082702SMR000046147Purderal2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol2-[2-[1-(hydroxymethyl)propylamino]ethylamino]butan-1-ol
Show more names
1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-1,2-Bis[1-(hydroxymethyl)propylamino]ethane1-Butanol, 2,2'-(ethylenediimino)di- (6CI, 7CI, 8CI)
d,N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine(R)-2,2'-(1,2-Ethanediyldiimino)bis-1-butanol1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (R)-Dadibutol (Salt/Mix)Myambutol (Salt/Mix)Opera_ID_842SCHEMBL4029CHEMBL25539
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 109
Experimental & physicochemical properties
DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 87 · 87-88 °C(Solvent: Ligroine; Benzene)
- Boiling point
- 163 · 163-170 °C(Press: 0.1 Torr)
- Density
- 0.987 · 0.987±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.426 · 14.426±0.10(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P301+P317, P319, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Additional notes
DefinitionChEBI: 2-[2-(1-hydroxybutan-2-ylamino)ethylamino]-1-butanol is an amino alcohol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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