N-Methyl-N-phenylcarbamoyl chloride - CAS 4285-42-1
Catalog: |
BB025251 |
Product Name: |
N-Methyl-N-phenylcarbamoyl chloride |
CAS: |
4285-42-1 |
Synonyms: |
N-methyl-N-phenylcarbamoyl chloride |
IUPAC Name: | N-methyl-N-phenylcarbamoyl chloride |
Description: | N-Methyl-N-phenylcarbamoyl chloride (CAS# 4285-42-1) is a reagent for the preparation of carbamoylcholine analogs as it has biological activity as nicotinic acetylcholine receptor agonists. |
Molecular Weight: | 169.61 |
Molecular Formula: | C8H8ClNO |
Canonical SMILES: | CN(C1=CC=CC=C1)C(=O)Cl |
InChI: | InChI=1S/C8H8ClNO/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3 |
InChI Key: | CPGWSLFYXMRNDV-UHFFFAOYSA-N |
Boiling Point: | 280 ℃ (lit.) |
Density: | 1.247 g/cm3 |
LogP: | 2.48160 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0294416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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