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23356-96-9 molecular structure
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[(2S)-pyrrolidin-2-yl]methanol

ChemBase ID: 797511
Molecular Formular: C5H11NO
Molecular Mass: 101.14694
Monoisotopic Mass: 101.08406398
SMILES and InChIs

SMILES:
N1CCC[C@H]1CO
Canonical SMILES:
OC[C@@H]1CCCN1
InChI:
InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m0/s1
InChIKey:
HVVNJUAVDAZWCB-YFKPBYRVSA-N

Cite this record

CBID:797511 http://www.chembase.cn/molecule-797511.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2S)-pyrrolidin-2-yl]methanol
IUPAC Traditional name
prolinol
Synonyms
L-(+)-Prolinol
CAS Number
23356-96-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.121073  H Acceptors
H Donor LogD (pH = 5.5) -3.6555982 
LogD (pH = 7.4) -3.4277017  Log P -0.41741595 
Molar Refractivity 28.1969 cm3 Polarizability 11.356206 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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