Nonanedioic acid,2-(3-amino-1-cyclohexyl-1-hydroxypropyl)-, diethyl ester, hydrochloride (9CI) supplier

Name
diethyl 2-(3-amino-1-cyclohexyl-1-hydroxypropyl)nonanedioate hydrochloride
EINECS 300-613-6
CAS No. 93942-59-7
Density
Solubility
Melting Point
Formula C₂₂H₄₂ClNO₅
Boiling Point 515.5 °C at 760 mmHg
Molecular Weight 436.02558
Flash Point 265.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms diethyl 2-(3-amino-1-cyclohexyl-1-hydroxypropyl)nonanedioate hydrochloride
PSA 98.85000
LogP 5.23190

Nonanedioic acid,2-(3-amino-1-cyclohexyl-1-hydroxypropyl)-, diethyl ester, hydrochloride (9CI) Specification

The CAS registry number of Nonanedioic acid,2-(3-amino-1-cyclohexyl-1-hydroxypropyl)-, diethyl ester, hydrochloride (9CI) is 93942-59-7. Its EINECS registry number is 300-613-6. This chemical's molecular formula is C₂₂H₄₂ClNO₅ and molecular weight is 436.02558. Its IUPAC name is called diethyl 2-(3-amino-1-cyclohexyl-1-hydroxypropyl)nonanedioate hydrochloride.

Physical properties of Nonanedioic acid,2-(3-amino-1-cyclohexyl-1-hydroxypropyl)-, diethyl ester, hydrochloride (9CI): (1)ACD/LogP: 4.19; (2)ACD/LogD (pH 5.5): 1.13; (3)ACD/LogD (pH 7.4): 2.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 6.33; (6)ACD/KOC (pH 5.5): 3.94; (7)ACD/KOC (pH 7.4): 31.95; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 18; (11)Flash Point: 265.6 °C; (12)Enthalpy of Vaporization: 90.62 kJ/mol; (13)Boiling Point: 515.5 °C at 760 mmHg; (14)Vapour Pressure: 8.78E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)CCCCCCC(C(=O)OCC)C(CCN)(C1CCCCC1)O.Cl
(2)InChI: InChI=1S/C22H41NO5.ClH/c1-3-27-20(24)15-11-6-5-10-14-19(21(25)28-4-2)22(26,16-17-23)18-12-8-7-9-13-18;/h18-19,26H,3-17,23H2,1-2H3;1H
(3)InChIKey: JDIVGTFXSZSPOA-UHFFFAOYSA-N

Product Name

diethyl 2-(3-amino-1-cyclohexyl-1-hydroxypropyl)nonanedioate hydrochloride

Nonanedioic acid,2-(3-amino-1-cyclohexyl-1-hydroxypropyl)-, diethyl ester, hydrochloride (9CI) Specification

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