(S)-(1-Benzylpyrrolidin-3-yl)methanol
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Basic information
- CAS
78914-69-9- Standard SMILES
OC[C@H]1CCN(Cc2ccccc2)C1- InChIKey
QPQQBJDSKDWQMJ-LBPRGKRZSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101417
Names & identifiers
- Preferred name
- (S)-(1-Benzylpyrrolidin-3-yl)methanol
- IUPAC
- [(3S)-1-benzylpyrrolidin-3-yl]methanol
- English name
- (S)-1-BENZYL-BETA-PROLINOL
- Molecular formula
- C12H17NO
- Molecular weight
- 191.27
Names & synonyms
(S)-(1-Benzylpyrrolidin-3-yl)methanol78914-69-9(S)-1-Benzyl-beta-prolinol[(3S)-1-benzylpyrrolidin-3-yl]methanol(S)-(1-Benzyl-pyrrolidin-3-yl)-methanolMFCD09608006(S)-1-Benzyl-3-pyrrolidinemethanolA1J6ESCHEMBL5968994DTXSID90363858AKOS006331270AC-29341
Show more names
(3S)-1-(Phenylmethyl)-3-pyrrolidinemethanol3-PyrrolidineMethanol, 1-(phenylMethyl)-, (3S)-
AS-81896FB155911TS-02702CS-0171340F696080
Database identifiers
- CAS
78914-69-9- PubChem CID
- 1514331
- DTXSID
DTXSID90363858
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 274.9 · 274.9±15.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 14.93 · 14.93±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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