DL-Pantothenyl ethyl ether supplier

Name
(R)-(+)-2,4-Dihydroxy-N-(3-ethoxypropyl)-3,3-dimethylbutyramide
EINECS
CAS No. 667-84-5
Article Data5
CAS DataBase
Density 1.073 g/cm³
Solubility
Melting Point 98-101 °C(lit.)
Formula C₁₁H₂₃NO₄
Boiling Point 443.8 °C at 760 mmHg
Molecular Weight 233.308
Flash Point 222.2 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms DL-PANTHENOL ETHYL ETHER;DL-PANTOTHENYL ETHYL ETHER;LABOTEST-BB LT00847551;DL-PANTHENOL ETHYL ETHER 99-102%;Butanamide, N-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethyl-;DL-PANTHENYLETHYLETHER;(R)-(+)-2,4-Dihydroxy-N-(3-ethoxypropyl)-3,3-dimethylbutyramide
PSA 78.79000
LogP 0.29950

DL-Pantothenyl ethyl ether Specification

The DL-Pantothenyl ethyl ether, with CAS registry number of 667-84-5, has the systematic name of ethyl N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-β-alaninate. Its molecular formula is C₁₁H₂₁NO₅ and its molecular weight is 365.961821. What's more, it's also named as butanamide, N-(3-ethoxypropyl)-2,4-dihydroxy-3,3-dimethyl-.

Physical properties about this chemical are: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.01; (8)ACD/KOC (pH 7.4): 31.01; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 61.37 cm³; (15)Molar Volume: 217.8 cm³; (16)Polarizability: 24.33×10^-24cm³; (17)Surface Tension: 40.1 dyne/cm; (18)Enthalpy of Vaporization: 80.95 kJ/mol; (19)Vapour Pressure: 9.7E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCCOCC)C(O)C(C)(C)CO;
(2)InChI: InChI=1/C11H23NO4/c1-4-16-7-5-6-12-10(15)9(14)11(2,3)8-13/h9,13-14H,4-8H2,1-3H3,(H,12,15);
(3)InChIKey: MRAMPOPITCOOIN-UHFFFAOYAK;
(4)Std. InChI: InChI=1S/C11H23NO4/c1-4-16-7-5-6-12-10(15)9(14)11(2,3)8-13/h9,13-14H,4-8H2,1-3H3,(H,12,15);
(5)Std. InChIKey: MRAMPOPITCOOIN-UHFFFAOYSA-N

Product Name

(R)-(+)-2,4-Dihydroxy-N-(3-ethoxypropyl)-3,3-dimethylbutyramide

DL-Pantothenyl ethyl ether Specification

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