HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

(3-Chloro-2-methyl-phenyl)-(3,4-dimethoxy-benzylidene)-amine

HCID 690793
New noteNew reactionRequest quotesPrint preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
303215-17-0
Standard SMILES
COc1ccc(C=Nc2cccc(Cl)c2C)cc1OC
InChIKey
RZZMWBWSAKVDEU-UHFFFAOYSA-N
Molecular formula
C16H16ClNO2
Average molar mass
289.75 g/mol
Monoisotopic mass
289.0869564

Names & identifiers

Preferred name
(3-Chloro-2-methyl-phenyl)-(3,4-dimethoxy-benzylidene)-amine
IUPAC
N-(3-chloro-2-methylphenyl)-1-(3,4-dimethoxyphenyl)methanimine
English name
(3-chloro-2-methylphenyl)(3,4-dimethoxybenzylidene)amine
Molecular formula
C16H16ClNO2
Molecular weight
289.76

Names & synonyms

(3-Chloro-2-methyl-phenyl)-(3,4-dimethoxy-benzylidene)-amineSTK045636AKOS000483805ST009610AG-690/12766230N-(3-chloro-2-methylphenyl)-N-(3,4-dimethoxybenzylidene)amine3-chloro-N-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-methylaniline4-[(1E)-2-(3-chloro-2-methylphenyl)-2-azavinyl]-1,2-dimethoxybenzene(3-chloro-2-methylphenyl)(3,4-dimethoxybenzylidene)amineBenzenamine, 3-chloro-N-[(3,4-dimethoxyphenyl)methylene]-2-methyl-

Database identifiers

CAS
303215-17-0
PubChem CID
690793
EC Number
141-529-8

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
30.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
324

Physicochemical properties

Boiling point
422.3 · 422.3±45.0 °C(Predicted)
Density
1.12 · 1.12±0.1 g/cm3(Predicted)
pka
3.4 · 3.40±0.50(Predicted)

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes