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

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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[511.55; 559.46]	J/mol×K	[782.23; 962.77]
Cp,gas	511.55	J/mol×K	782.23	Joback Calculated Property
Cp,gas	520.69	J/mol×K	812.32	Joback Calculated Property
Cp,gas	529.32	J/mol×K	842.41	Joback Calculated Property
Cp,gas	537.49	J/mol×K	872.50	Joback Calculated Property
Cp,gas	545.21	J/mol×K	902.59	Joback Calculated Property
Cp,gas	552.52	J/mol×K	932.68	Joback Calculated Property
Cp,gas	559.46	J/mol×K	962.77	Joback Calculated Property
η	[37.2520000; 527.2870000]	Pa×s	[293.15; 313.15]
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

Similar Compounds

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

Mixtures

• (R)-2,4-DIHYDROXY-N-(3-HYDROXYPROPYL)-3,3-DIMETHYLBUTYRAMIDE + Water
• 1,2-Ethanediol + (R)-2,4-DIHYDROXY-N-(3-HYDROXYPROPYL)-3,3-DIMETHYLBUTYRAMIDE + Water
• (R)-2,4-DIHYDROXY-N-(3-HYDROXYPROPYL)-3,3-DIMETHYLBUTYRAMIDE + Ethanol, 2,2'-oxybis- + Water
• (R)-2,4-DIHYDROXY-N-(3-HYDROXYPROPYL)-3,3-DIMETHYLBUTYRAMIDE + Triethylene glycol + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Interaction of D-panthenol with water molecules - Experimental and computational study
• Acoustic and thermodynamic study of D-Panthenol in aqueous solutions of glycol at different temperatures
• Joback Method
• McGowan Method
• NIST Webbook

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