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| CAS No.: | 16194-11-9 |
|---|---|
| Name: | Glycine lauryl ester hydrochloride |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C14H30ClNO2 |
| Molecular Weight: | 279.85 |
| Synonyms: | Laurylglycinate hydrochloride; |
| EINECS: | 1312995-182-4 |
| Melting Point: | 95 °C(Solv: water (7732-18-5); methanol (67-56-1)) |
| Boiling Point: | 347.7 °C at 760 mmHg |
| Flash Point: | 164.1 °C |
| Appearance: | White crystalline powder |
| PSA: | 52.32000 |
| LogP: | 4.91150 |
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Specification
The Glycine lauryl ester hydrochloride, with the CAS registry number 16194-11-9, is also known as Glycine, dodecyl ester, hydrochloride. This chemical's molecular formula is C14H30ClNO2 and molecular weight is 279.85. What's more, its systematic name is called Dodecyl glycinate hydrochloride.
Physical properties about Glycine lauryl ester hydrochloride are: (1) ACD/LogP: 5.01; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 3.2; (4) ACD/LogD (pH 7.4): 4.74; (5) ACD/BCF (pH 5.5): 58.15; (6) ACD/BCF (pH 7.4): 2049.54; (7) ACD/KOC (pH 5.5): 194.5; (8) ACD/KOC (pH 7.4): 6854.86; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 14; (12) Polar Surface Area: 52.32 Å2; (13) Flash Point: 164.1 °C; (14) Enthalpy of Vaporization: 60.37 kJ/mol; (15) Boiling Point: 347.7 °C at 760 mmHg; (16) Vapour Pressure: 3.73E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.NCC(=O)OCCCCCCCCCCCC
(2) InChI: InChI=1/C14H29NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15;/h2-13,15H2,1H3;1H
(3) InChIKey: UQABHIYZDIJESE-UHFFFAOYAC