1-Ethyl-4-methylpyrrolidin-3-amine
Basic information
- CAS
1384429-61-1- Standard SMILES
CCN1CC(C)C(N)C1- InChIKey
FHOZBMFXDBJVBS-UHFFFAOYSA-N- Molecular formula
- C7H16N2
- Average molar mass
- 128.22 g/mol
- Monoisotopic mass
- 128.13134852
Names & identifiers
- Preferred name
- 1-Ethyl-4-methylpyrrolidin-3-amine
- IUPAC
- 1-ethyl-4-methylpyrrolidin-3-amine
- English name
- 1-ethyl-4-methylpyrrolidin-3-amine
- Molecular formula
- C7H16N2
- Molecular weight
- 128.22
Names & synonyms
1-ethyl-4-methylpyrrolidin-3-amine1384429-61-1SCHEMBL26121598DTXSID101291455JFC429611-ethyl-4-methyl-pyrrolidin-3-amineAKOS0267265943-Pyrrolidinamine, 1-ethyl-4-methyl-CS-0264789EN300-94492Z1268671316
Database identifiers
- CAS
1384429-61-1- PubChem CID
- 72124256
- DTXSID
DTXSID101291455
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 92.9
Physicochemical properties
- Boiling point
- 148 · 148.0±8.0 °C(Predicted)
- Density
- 0.884 · 0.884±0.06 g/cm3(Predicted)
- pka
- 9.93 · 9.93±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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