ML-SI3
[CAS# 891016-02-7]

Identification

• Classification: API >> Inhibitor drug
• Name: ML-SI3
• Synonyms: N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
• Molecular Formula: C₂₃H₃₁N₃O₃S
• Molecular Weight: 429.58
• CAS Registry Number: 891016-02-7
• EC Number: 816-721-6
• SMILES: COC1=CC=CC=C1N2CCN(CC2)C3CCCCC3NS(=O)(=O)C4=CC=CC=C4

Properties

• Solubility: 7.292 mg/L (25 ºC water)
• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.629, Calc.^*
• Melting point: 236.75 ºC
• Boiling Point: 589.3±60.0 ºC (760 mmHg), Calc.^*, 551.69 ºC
• Flash Point: 310.2±32.9 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H315-H319-H335
• Precautionary Statements: P261-P264-P264+P265-P271-P280-P302+P352-P304+P340-P305+P351+P338-P319-P321-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335
Eye irritation	Eye Irrit.	2A	H319