Basic information
- CAS
169750-78-1- Standard SMILES
CCN(C)[C@H]1CCNC1- InChIKey
YVPGYPWDDYIQJP-ZETCQYMHSA-N- Molecular formula
- C7H16N2
- Average molar mass
- 128.22 g/mol
- Monoisotopic mass
- 128.13134852
Names & identifiers
- Preferred name
- (S)-N-Ethyl-N-methylpyrrolidin-3-amine
- IUPAC
- (3S)-N-ethyl-N-methylpyrrolidin-3-amine
- English name
- 3-Pyrrolidinamine,N-ethyl-N-methyl-,(S)-(9CI)
- Molecular formula
- C7H16N2
- Molecular weight
- 128.22
Names & synonyms
(S)-N-Ethyl-N-methylpyrrolidin-3-amine169750-78-1(3S)-N-ETHYL-N-METHYLPYRROLIDIN-3-AMINESCHEMBL1489802SCHEMBL7508609DTXSID501268698DB-3104573-Pyrrolidinamine, N-ethyl-N-methyl-, (S)-3-Pyrrolidinamine,N-ethyl-N-methyl-,(S)-(9CI)
Database identifiers
- CAS
169750-78-1- PubChem CID
- 45087362
- DTXSID
DTXSID501268698
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Physicochemical properties
- Boiling point
- 180.5 · 180.5±8.0 °C(Predicted)
- Density
- 0.91 · 0.91±0.1 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.10(Predicted)
Chemistry & industry
Suppliers1 total
宁波卡瑞欧化工科技有限公司0574-27891269 18667892864 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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