CAS No.667-84-5,(R)-(+)-2,4-Dihydroxy-N-(3-ethoxypropyl)-3,3-dimethylbutyramide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	667-84-5
Name:	(R)-(+)-2,4-Dihydroxy-N-(3-ethoxypropyl)-3,3-dimethylbutyramide
Article Data:	5

Formula:	C₁₁H₂₃NO₄
Molecular Weight:	233.308
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
Density:	1.073 g/cm³
Melting Point:	98-101 °C(lit.)
Boiling Point:	443.8 °C at 760 mmHg
Flash Point:	222.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	78.79000
LogP:	0.29950

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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