4-[Methyl-[2-(methylamino)ethyl]amino]butanenitrile
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Basic information
- CAS
786697-44-7- Standard SMILES
CNCCN(C)CCCC#N- InChIKey
ZQJBOUXCAWFGCH-UHFFFAOYSA-N- Molecular formula
- C8H17N3
- Average molar mass
- 155.24 g/mol
Names & identifiers
- Preferred name
- 4-[Methyl-[2-(methylamino)ethyl]amino]butanenitrile
- IUPAC
- 4-[methyl-[2-(methylamino)ethyl]amino]butanenitrile
- English name
- Butanenitrile, 4-?[methyl[2-?(methylamino)?ethyl]?amino]?-
- Molecular formula
- C8H17N3
- Molecular weight
- 155.24
Names & synonyms
AKOS013397996Butanenitrile, 4-[methyl[2-(methylamino)ethyl]amino]-
Database identifiers
- CAS
786697-44-7
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 259.4 · 259.4±20.0 °C(Predicted)
- Density
- 0.912 · 0.912±0.06 g/cm3(Predicted)
- pka
- 10.09 · 10.09±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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