Basic Information | Post buying leads | Suppliers |
Name |
Dicyclohexylammonium3-hydroxy-1-methylpropylmercapturic acid |
EINECS | N/A |
CAS No. | 33164-70-4 | Density | 1.239 g/cm3 |
PSA | 123.96000 | LogP | 4.10300 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H17NO4S | Boiling Point | 487.867 °C at 760 mmHg |
Molecular Weight | 235.3006 | Flash Point | 248.853 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-ACETYL-S-(3-HYDROXYPROPYL-1-METHYL)-L-CYSTEINE, DICYCLOHEXYLAMMONIUM SALT;3-HYDROXY-1-METHYLPROPYLMERCAPTURIC ACID, DICYCLOHEXYLAMMONIUM SALT;N-Acetyl-S-(3-hydroxypropyl-1-methyl)-L-cysteine, Dicyclohexylammonium Salt(Mixture of Diastereomers) |
The CAS registry number of Dicyclohexylammonium 3-hydroxy-1-methylpropylmercapturic acid is 33164-70-4. This chemical's molecular formula is C9H17NO4S and molecular weight is 235.3006. Its IUPAC name is called (2R)-2-acetamido-3-[(4-hydroxybutan-2-yl)sulfanyl]propanoic acid.
Physical properties of Dicyclohexylammonium 3-hydroxy-1-methylpropylmercapturic acid: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 8; (8)Index of Refraction: 1.527; (9)Molar Refractivity: 58.383 cm3; (10)Molar Volume: 189.886 cm3; (11)Surface Tension: 50.899 dyne/cm; (12)Density: 1.239 g/cm3; (13)Flash Point: 248.853 °C; (14)Enthalpy of Vaporization: 86.856 kJ/mol; (15)Boiling Point: 487.867 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(CCO)SC[C@@H](C(=O)O)NC(=O)C
(2)InChI: InChI=1/C9H17NO4S/c1-6(3-4-11)15-5-8(9(13)14)10-7(2)12/h6,8,11H,3-5H2,1-2H3,(H,10,12)(H,13,14)/t6?,8-/m0/s1
(3)InChIKey: NSRLJESZWULTTQ-XDKWHASVBS