Back to Search

Pantol

CAS: 81-13-0 | C9H19NO4

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 81-13-0
Molecular Formula: C9H19NO4
Molecular Weight: 205.25399999999996 g/mol

Names and Synonyms:

Pantol
NSC 302962
(+)-Panthenol
Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (2R)-
Butyramide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, D-(+)-
Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (R)-
(2R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
Bepanthen
Bepanthene
Bepantol
Cozyme
Dexpanthenol
D(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide
D(+)-α,γ-Dihydroxy-N-(3-hydroxypropyl)-β,β-dimethylbutyramide
Ilopan
D-P-A Injection
Motilyn
Panadon
Panthoderm
d-Pantothenol
d-Pantothenyl alcohol
Thenalton
Zentinic
D-Panthenol
Panthenol
Pantothenol
Pantothenyl alcohol
Propanolamine, N-pantoyl-
Panthenol, (+)-
D(+)-Pantothenyl alcohol
D(+)-Panthenol
Synapan
Provitamin B
d-Panthenol
D-Pantothenyl alcohol
Provitamin B5
d-Panthenol 50
Urupan
Alcopan 250
Pantenyl
Intrapan
(+)-Panthenol
Panthenol 50W
Cornergel
Dolobene
D-Panthenol 75L
Pantogel
(R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
(2R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide

Identifiers:

SMILES:
CC(C)(CO)[C@@H](O)C(O)=NCCCO
InChI:
InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

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

Category Property Value Source
Molecular Molecular Weight 205.25399999999996 g/mol RDKit
Exact Exact Molecular Weight 205.131408088 g/mol RDKit
Heavy Heavy Atom Count 14 count RDKit
Hydrogen Hydrogen Bond Acceptors 4 count RDKit
Hydrogen Bond Donors 4 count RDKit
Rotatable Rotatable Bonds 6 count RDKit
Aromatic Aromatic Ring Count 0 count RDKit
Topological Topological Polar Surface Area 93.28 Ų RDKit
Physical Properties LogP -0.29529999999999984 RDKit
molecular_mass 205.25 g/mol Legacy Database
density 1.20 g/cm³ Legacy Database
cas-boiling-point 119 °C Legacy Database
cas-canonical-smile O=C(NCCCO)C(O)C(C)(C)CO Legacy Database
cas-density 1.2 g/cm3 @ Temp: 20 °C Legacy Database
cas-inchi InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1 Legacy Database
cas-inchi-key InChIKey=SNPLKNRPJHDVJA-ZETCQYMHSA-N Legacy Database
cas-melting-point <25 °C Legacy Database
cas-name (+)-Panthenol Legacy Database
Molar Molar Refractivity 53.50720000000004 RDKit

Recent Searches

Acetone
Ethanol
Navigate
esc Close