13909-09-6
Product Name:
Semustine
Formula:
C10H18ClN3O2
Synonyms:
N-(2-Chloroethyl)-N′-(4-methylcyclohexyl)-N-nitrosourea;Methyl-CCNU
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea is a light yellow powder. (NTP, 1992) |
|---|---|
| Color/Form | Crystals |
| Melting Point | 147 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| LogP | log Kow = 3.30 |
| Stability/Shelf Life | It is stable under normal conditions but should be protected from moisture. |
| Decomposition | When heated to decomposition, it emits very toxic fumes of /chlorine/ and /nitrogen oxides/. |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H300:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H350:Carcinogenicity H360:Reproductive toxicity |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 247.72 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 247.1087545 g/mol |
| Monoisotopic Mass | 247.1087545 g/mol |
| Topological Polar Surface Area | 61.8 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 242 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea is a light yellow powder. (NTP, 1992)