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Benzeneacetamide,3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-N-methyl-,hydrochloride (1:1) structure
Benzeneacetamide,3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-N-methyl-,hydrochloride (1:1) structure

Benzeneacetamide,3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-N-methyl-,hydrochloride (1:1)

Iupac Name:4-chloro-7-methoxyquinazoline
CAS No.:55496-52-1
Molecular Weight:194.618
1. Names and Identifiers
1.1 Name
Benzeneacetamide,3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-N-methyl-,hydrochloride (1:1)
1.2 Synonyms

115200-30-1 2-(3,4-Dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-N-methylacetamide--hydrogen chloride (1/1) AC1MIZD3 benzeneacetamide, 3,4-dichloro-n-(1-(3,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)ethyl)-n-methyl-, monohydrochloride, (+-)- Benzeneacetamide,3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-N-methyl-,monohydrochloride (9CI) DTXSID40921649 ici 204,879 ici 204879 n-(2-(n-methyl-3,4-dichlorophenylacetamido)-2-(3,4-dimethyloxyphenyl)ethyl)pyrrolidine

1.3 CAS No.
55496-52-1
1.4 CID
18925078
1.5 Molecular Formula
C32H37BRCLN5O8 (isomer)
1.6 Inchi
InChI=1S/C9H7ClN2O/c1-13-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5H,1H3
1.7 InChkey
GUQZHZBMDPEBQG-UHFFFAOYSA-N
1.8 Canonical Smiles
COC1=CC2=C(C=C1)C(=NC=N2)Cl
1.9 Isomers Smiles
COC1=CC2=C(C=C1)C(=NC=N2)Cl
2. 3D Conformer
3. Properties
3.1 Density
1.033
3.2 Boiling Point
385.6°Cat760mmHg
3.3 Refractive Index
1.628
3.4 Flash Point
232.1°C
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Computational chemical data
  • Molecular Weight:194.618g/mol
  • Molecular Formula:C32H37BRCLN5O8
  • Compound Is Canonicalized:True
  • Exact Mass:194.025
  • Monoisotopic Mass:194.025
  • Complexity:179
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:35A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBzIAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgIAAAAADA6BniY31vYIFACg AyRjZACCiCkxJqAJ2CA+bpiMLqLF+9uENChuwBtI6CeQ0AMOIAAAAgACAABAAAAEAAQAAAAAAAAA AA==
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