(+)-Panthenol

C9H19NO4CAS 81-13-0205.25 g/mol

Open in Covalent MOL file
HOOHONHOH
Alcohol

Properties

Molecular formula
C9H19NO4
Molar mass
205.25 g/mol
Exact mass
205.1314 Da
Density
1.2 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
119 °C
logP
-0.30Crippen estimate
Polar surface area
93.3 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 327 ECHA notifiers. Aggregated from 327 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
81-13-0
SMILES
CC(C)(CO)[C@@H](O)C(O)=NCCCO
InChIKey
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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

44 names · show all
  • 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
  • Pantol
  • 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
  • Provitamin B5
  • d-Panthenol 50
  • Urupan
  • Alcopan 250
  • Pantenyl
  • Intrapan
  • NSC 302962
  • Panthenol 50W
  • Cornergel
  • Dolobene
  • D-Panthenol 75L
  • Pantogel
  • (R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide

Work with (+)-Panthenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Panthenol16485-10-2Stereo not defined

Similar compounds

(+)-Pantothenic acid79-83-463 % similar Pantethine16816-67-458 % similar Lactamide MEA5422-34-440 % similar 1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate75178-90-436 % similar 2,2,4-Trimethyl-1,3-pentanediol144-19-433 % similar 3-Amino-2-piperidinone1892-22-432 % similar Calcium pantothenate137-08-631 % similar Racemic calcium pantothenate6381-63-131 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Boc-diethanolamine103898-11-9 (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-1 2-(2-Boc-aminoethoxy)ethanol139115-91-6 (R)-(+)-2-(BOC-Amino)-1,4-butanediol397246-14-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook