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3-Pyrrolidinol

CAS: 40499-83-0 | C4H9NO

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 40499-83-0
Molecular Formula: C4H9NO
Molecular Weight: 87.12199999999999 g/mol

Names and Synonyms:

3-Pyrrolidinol Common Name
Pyrrolidine-3-ol Synonym
Pyrrolidin-3-ol Synonym
NSC 89294 Synonym
(±)-3-Hydroxypyrrolidine Synonym
(RS)-3-Pyrrolidinol Synonym
(±)-3-Pyrrolidinol Synonym
3-Hydroxypyrrolidine Synonym
3-Pyrrolidinol, (±)- Synonym
3-Pyrrolidinol Synonym

Identifiers:

SMILES:
OC1CCNC1
InChI:
InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 87.12 g/mol Legacy Database
cas-boiling-point 102-103 °C @ Press: 12 Torr None Legacy Database
cas-canonical-smile OC1CNCC1 None Legacy Database
cas-inchi InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2 None Legacy Database
cas-inchi-key InChIKey=JHHZLHWJQPUNKB-UHFFFAOYSA-N None Legacy Database
cas-name 3-Pyrrolidinol None Legacy Database
LogP -0.6594 RDKit

Molecular

Property Value Source
Molecular Weight 87.12199999999999 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 87.068413908 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 6 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 32.26 Ų RDKit

Molar

Property Value Source
Molar Refractivity 23.493499999999994 RDKit

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