CAS No.37869-33-3,Sodium N-dodecanoyl-L-valinate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37869-33-3
Name:	Sodium N-dodecanoyl-L-valinate

Formula:	C₁₇H₃₂NNaO₃
Molecular Weight:	321.43
Synonyms:	N-Dodecanoyl-L-valine monosodium salt;
Boiling Point:	470.2 °C at 760 mmHg
Flash Point:	238.2 °C
PSA:	69.23000
LogP:	3.18890

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Specification

The Sodium N-dodecanoyl-L-valinate, with the CAS registry number of 37869-33-3, is also known as N-Dodecanoyl-L-valine monosodium salt. This chemical's molecular formula is C₁₇H₃₂NNaO₃ and molecular weight is 321.43. What's more, its IUPAC name is Sodium (2S)-2-(dodecanoylamino)-3-methylbutanoate.

Physical properties about the Sodium N-dodecanoyl-L-valinate are: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 38.02; (6)ACD/BCF (pH 7.4): 1.3; (7)ACD/KOC (pH 5.5): 120.07; (8)ACD/KOC (pH 7.4): 4.1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 57.61 Å²; (13)Flash Point: 238.2 °C; (14)Enthalpy of Vaporization: 80.27 kJ/mol; (15)Boiling Point: 470.2 °C at 760 mmHg; (16)Vapour Pressure: 3.85E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:[Na+].[O-]C(=O)[C@@H](NC(=O)CCCCCCCCCCC)C(C)C
(2) InChI:InChI=1/C17H33NO3.Na/c1-4-5-6-7-8-9-10-11-12-13-15(19)18-16(14(2)3)17(20)21;/h14,16H,4-13H2,1-3H3,(H,18,19)(H,20,21);/q;+1/p-1/t16-;/m0./s1
(3) InChIKey:UEWBTMYWRIIMEJ-GUQZDMFTBY