Allylethylamine
Basic information
- CAS
2424-02-4- Standard SMILES
C=CCNCC- InChIKey
PUUULGNNRPBVBA-UHFFFAOYSA-N- Molecular formula
- C5H11N
- Average molar mass
- 85.15 g/mol
- Monoisotopic mass
- 85.08914936
Names & identifiers
- Preferred name
- Allylethylamine
- IUPAC
- N-ethylprop-2-en-1-amine
- English name
- Allylethylamine
- Molecular formula
- C5H11N
- Molecular weight
- 85.15
Names & synonyms
Allylethylamineethyl(prop-2-en-1-yl)amine2424-02-4N-ethylprop-2-en-1-amineN-Ethylallylamine2-Propen-1-amine, N-ethyl-Allylethyl amineallyl ethyl amineN-Allyl-N-ethylamine #SCHEMBL31294SCHEMBL277951SCHEMBL277952
Show more names
N-Allyl-N-ethylamineEthyl(2-propenyl)amineN-Ethyl-2-propen-1-amine
SCHEMBL2936884SCHEMBL5544522SCHEMBL7666141DTXSID30947050EINECS 219-356-5AKOS000224644NS00048061EN300-56276
Database identifiers
- CAS
2424-02-4- PubChem CID
- 72885
- DTXSID
DTXSID30947050- EC Number
- 219-356-5
- Nikkaji
- J216.065J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 32.9
Experimental & physicochemical properties
LogP0.81
Physicochemical properties
- Boiling point
- 84 °C · 84 °C
- Density
- 0.7536 g/cm3 · 0.7536 g/cm3
- pka
- 9.91 · 9.91±0.10(Predicted)
- HS Code
- 2921199090 · 2921199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2921199090
Related reactions
2 records
Compound notes
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