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Molecule
(+)-Panthenol
CAS: 81-13-0 · C9H19NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 81-13-0
- Molecular Formula
- C9H19NO4
- Molecular Mass
- 205.25 g/mol
Identifiers
CAS Registry Number
81-13-0
SMILES
CC(C)(CO)[C@@H](O)C(O)=NCCCO
InChI Key
SNPLKNRPJHDVJA-ZETCQYMHSA-N
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
Names and Synonyms
- (+)-Panthenol Synonym
- Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (2R)- Synonym
- Butyramide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, D-(+)- Synonym
- Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (R)- Synonym
- (2R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide Synonym
- Bepanthen Synonym
- Bepanthene Synonym
- Bepantol Synonym
- Cozyme Synonym
- Dexpanthenol Synonym
- D(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide Synonym
- D(+)-α,γ-Dihydroxy-N-(3-hydroxypropyl)-β,β-dimethylbutyramide Synonym
- Ilopan Synonym
- D-P-A Injection Synonym
- Motilyn Synonym
- Panadon Synonym
- Panthoderm Synonym
- Pantol Synonym
- d-Pantothenol Synonym
- d-Pantothenyl alcohol Synonym
- Thenalton Synonym
- Zentinic Synonym
- D-Panthenol Synonym
- Panthenol Synonym
- Pantothenol Synonym
- Pantothenyl alcohol Synonym
- Propanolamine, N-pantoyl- Synonym
- Panthenol, (+)- Synonym
- D(+)-Pantothenyl alcohol Synonym
- D(+)-Panthenol Synonym
- Synapan Synonym
- Provitamin B Synonym
- d-Panthenol Synonym
- D-Pantothenyl alcohol Synonym
- Provitamin B5 Synonym
- d-Panthenol 50 Synonym
- Urupan Synonym
- Alcopan 250 Synonym
- Pantenyl Synonym
- Intrapan Synonym
- (+)-Panthenol Synonym
- NSC 302962 Synonym
- Panthenol 50W Synonym
- Cornergel Synonym
- Dolobene Synonym
- D-Panthenol 75L Synonym
- Pantogel Synonym
- (R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide Synonym
- (2R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 205.25 g/mol | CAS Common Chemistry |
| 205.25399999999996 g/mol | RDKit | |
| 205.254 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.2 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 119 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NCCCO)C(O)C(C)(C)CO | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=SNPLKNRPJHDVJA-ZETCQYMHSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | (+)-Panthenol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 93.28 Ų | RDKit |
| LogP | -0.29529999999999984 | RDKit |
| -0.2953 | RDKit | |
| Molar Refractivity | 53.50720000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 205.131408088 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
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Quick conversion
MW = 205.25 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H19NO4.
