Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
DL-Pantothenyl ethyl ether |
EINECS | N/A |
CAS No. | 667-84-5 | Density | 1.073 g/cm3 |
PSA | 78.79000 | LogP | 0.29950 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
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 |
Article Data | 5 |
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