(3R,5S)-5-[(3S)-pyrrolidin-3-yl]pyrrolidin-3-ol
Basic information
- CAS
698342-26-6- Standard SMILES
O[C@H]1CN[C@H]([C@H]2CCNC2)C1- InChIKey
PXCMCQRZQCIQDZ-RNJXMRFFSA-N- Molecular formula
- C8H16N2O
- Average molar mass
- 156.23 g/mol
Names & identifiers
- Preferred name
- (3R,5S)-5-[(3S)-pyrrolidin-3-yl]pyrrolidin-3-ol
- IUPAC
- (3R,5S)-5-[(3S)-pyrrolidin-3-yl]pyrrolidin-3-ol
- English name
- [2,3-Bipyrrolidin]-4-ol, (2S,3S,4R)- (9CI)
- Molecular formula
- C8H16N2O
- Molecular weight
- 156.23
Names & synonyms
[2,3'-Bipyrrolidin]-4-ol, (2S,3'S,4R)-[2,3-Bipyrrolidin]-4-ol, (2S,3S,4R)- (9CI)
Database identifiers
- CAS
698342-26-6- Nikkaji
- J939.713B
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Boiling point
- 292.5 · 292.5±35.0 °C(Predicted)
- Density
- 1.114 · 1.114±0.06 g/cm3(Predicted)
- pka
- 14.86 · 14.86±0.40(Predicted)
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Compound notes
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