2'-Benzyl-2-chloroacetanilide - CAS 21535-43-3
Catalog: |
BB016944 |
Product Name: |
2'-Benzyl-2-chloroacetanilide |
CAS: |
21535-43-3 |
Synonyms: |
2-chloro-N-[2-(phenylmethyl)phenyl]acetamide; N-(2-benzylphenyl)-2-chloroacetamide |
IUPAC Name: | N-(2-benzylphenyl)-2-chloroacetamide |
Description: | 2'-Benzyl-2-chloroacetanilide (CAS# 21535-43-3) is a compound useful in organic synthesis. |
Molecular Weight: | 259.73 |
Molecular Formula: | C15H14ClNO |
Canonical SMILES: | C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)CCl |
InChI: | InChI=1S/C15H14ClNO/c16-11-15(18)17-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18) |
InChI Key: | YZCYKOPNFLUUIN-UHFFFAOYSA-N |
Boiling Point: | 443.2 °C at 760 mmHg |
Density: | 1.217 g/cm3 |
LogP: | 3.52770 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112028897-A | Synthesis method of epinastine hydrochloride | 20201106 |
WO-2021025442-A1 | Novel method for producing epinastine | 20190806 |
CN-107286093-A | The preparation method of 6 chloromethyl morphanthridines | 20170817 |
CN-107286093-B | The preparation method of 6 chloromethyl morphanthridines | 20170817 |
CN-105061246-A | Preparation method for epinastine intermediate | 20150810 |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.0763918 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.0763918 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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