Chloromethyl Diethylcarbamate - CAS 133217-92-2
Catalog: |
BB070021 |
Product Name: |
Chloromethyl Diethylcarbamate |
CAS: |
133217-92-2 |
Synonyms: |
Diethyl-carbamic Acid Chloromethyl Ester |
IUPAC Name: | chloromethyl N,N-diethylcarbamate |
Description: | Intermediates in prodrug synthesis. |
Molecular Weight: | 165.62 |
Molecular Formula: | C6H12ClNO2 |
Canonical SMILES: | CCN(CC)C(=O)OCCl |
InChI: | InChI=1S/C6H12ClNO2/c1-3-8(4-2)6(9)10-5-7/h3-5H2,1-2H3 |
InChI Key: | INYBDSYHTPGUKO-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
Appearance: | Colourless to Pale Yellow Oil |
Storage: | Refrigerator, Under Inert Atmosphere |
References: | Folkmann, M. & Lund, F.; Synthesis 12, 1159 (1990). |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.0556563 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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