N~1~-(Butan-2-yl)-N~2~-(propan-2-yl)ethane-1,2-diamine
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Basic information
- CAS
4014-00-0- Standard SMILES
CCC(C)NCCNC(C)C- InChIKey
VELKVXYYFGKWRG-UHFFFAOYSA-N- Molecular formula
- C9H22N2
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.17829871
Names & identifiers
- Preferred name
- N~1~-(Butan-2-yl)-N~2~-(propan-2-yl)ethane-1,2-diamine
- IUPAC
- N'-butan-2-yl-N-propan-2-ylethane-1,2-diamine
- English name
- N-2-BUTYL-N'-ISOPROPYL ETHYLENEDIAMINE
- Molecular formula
- C9H22N2
- Molecular weight
- 158.28
Names & synonyms
4014-00-0DTXSID90960583N~1~-(Butan-2-yl)-N~2~-(propan-2-yl)ethane-1,2-diamineRefChem:1093422DTXCID501388432N-2-Butyl-N'-isopropyl ethylenediamineN-sec-Butyl-N'-isopropylethylenediamineN'-butan-2-yl-N-propan-2-ylethane-1,2-diamineN-isopropyl-N'-sec-butyl-ethane-1,2-diamineSCHEMBL27012844N-2-Butyl-N'-isopropylethylenediamineN-Isopropyl-N'-sec-butylethylenediamine
Show more names
1,2-Ethanediamine, N1-(1-methylethyl)-N2-(1-methylpropyl)-
F024599
Database identifiers
- CAS
4014-00-0- PubChem CID
- 469912
- DTXSID
DTXSID90960583
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 81.6
Physicochemical properties
- Boiling point
- 173 · 173-176 °C
- Density
- 0.809 · 0.809±0.06 g/cm3(Predicted)
- pka
- 10.34 · 10.34±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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