Chemical Properties of (R)-2,4-DIHYDROXY-N-(3-HYDROXYPROPYL)-3,3-DIMETHYLBUTYRAMIDE (CAS 81-13-0)

(R)-2,4-DIHYDROXY-N-(3-HYDROXYPROPYL)-3,3-DIMETHYLBUTYRAMIDE

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-/m1/s1
InChI Key
SNPLKNRPJHDVJA-SSDOTTSWSA-N
Formula
C9H19NO4
SMILES
CC(C)(CO)C(O)C(=O)NCCCO
Molecular Weight1
205.25
CAS
81-13-0
Other Names
  • (+)-Panthenol
  • (R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
  • 2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide, (R)-
  • 2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide, D-(+)-
  • Alcopan-250
  • Bepanthen
  • Bepanthene
  • Bepantol
  • Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (2R)-
  • Butanamide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, (R)-
  • Butyramide, 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethyl-, D-(+)-
  • Cozyme
  • D(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide
  • D(+)-Panthenol
  • D(+)-Pantothenyl alcohol
  • D-(+)-2,4-Dihydroxy-3,3-dimethyl-N-(3-hydroxypropyl)butyramide
  • D-P-A Injection
  • D-Panthenol 50
  • D-Pantothenyl alcohol
  • Dexpanthelol
  • Dexpanthenol
  • Dextro pantothenyl alcohol
  • Ilopan
  • Intrapan
  • Motilyn
  • N-Pantoyl-3-propanolamine
  • NSC 302962
  • Panadon
  • Pantenyl
  • Panthenol, (+)-
  • Panthoderm
  • Pantol
  • Pantothenol
  • Pantothenyl alcohol
  • Pantothenylol
  • Propanolamine, N-pantoyl-
  • Provitamin B
  • Provitamin B5
  • Thenalton
  • Urupan
  • Zentinic
  • d-Panthenol
  • d-Pantothenol
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Physical Properties

Property Value Unit Source
ΔfusH° 27.09 kJ/mol Joback Calculated Property
logPoct/wat -1.136 Crippen Calculated Property
McVol 166.830 ml/mol McGowan Calculated Property
Inp 1807.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
η [37.2520000; 527.2870000] Pa×s [293.15; 313.15] Show Hide
η 527.2870000 Pa×s 293.15 Interaction of D-panthenol with water molecules - Experimental and computational study
η 261.5440000 Pa×s 298.15 Interaction of D-panthenol with water molecules - Experimental and computational study
η 125.6730000 Pa×s 303.15 Interaction of D-panthenol with water molecules - Experimental and computational study
η 68.4870000 Pa×s 308.15 Interaction of D-panthenol with water molecules - Experimental and computational study
η 37.2520000 Pa×s 313.15 Interaction of D-panthenol with water molecules - Experimental and computational study

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [249.24; 567.57] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-9.42600e+00
Coefficient B1.14074e+00
Coefficient C-7.61900e-04
Coefficient D1.98160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 249.24 J/mol×K 273.00 Calculated Property
Cp,gas 307.56 J/mol×K 353.78 Calculated Property
Cp,gas 358.67 J/mol×K 434.56 Calculated Property
Cp,gas 403.22 J/mol×K 515.33 Calculated Property
Cp,gas 441.82 J/mol×K 596.11 Calculated Property
Cp,gas 475.10 J/mol×K 676.89 Calculated Property
Cp,gas 503.69 J/mol×K 757.67 Calculated Property
Cp,gas 528.21 J/mol×K 838.44 Calculated Property
Cp,gas 549.30 J/mol×K 919.22 Calculated Property
Cp,gas 567.57 J/mol×K 1000.00 Calculated Property

Similar Compounds

Calcium pantothenate dextro. 3'-dihydrocinnamoylindicine. Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3«beta»,23«beta»)-. vasicinone. Pyrrolidin-2-one, 1-[1-(4-trimethylsilyloxycarbonylphenyl)butan-1-ol-2-yl]-, trimethylsilyl ether. 5-Methyluridine, tris(trifluoroacetate). Pinacol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl. Lincomycin. amikacin. N-Acetylnornarcotine. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TFA. «beta»-tiglyl echinatine, diTMS. 9,10-Dihydrophenanthrene-cis-9,10-diol, ferrocenylboronate. Norhydrocodone.

Find more compounds similar to (R)-2,4-DIHYDROXY-N-(3-HYDROXYPROPYL)-3,3-DIMETHYLBUTYRAMIDE.

Mixtures

Sources

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