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33164-70-4

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Basic Information
CAS No.: 33164-70-4
Name: N-ACETYL-S-(3-HYDROXYPROPYL-1-METHYL)-L-CYSTEINE, DICYCLOHEXYLAMMONIUM SALT
Molecular Structure:
Molecular Structure of 33164-70-4 (N-ACETYL-S-(3-HYDROXYPROPYL-1-METHYL)-L-CYSTEINE, DICYCLOHEXYLAMMONIUM SALT)
Formula: C9H17NO4S
Molecular Weight: 235.3006
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)
Density: 1.239 g/cm3
Boiling Point: 487.867 °C at 760 mmHg
Flash Point: 248.853 °C
PSA: 123.96000
LogP: 4.10300
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Specification

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