2,3-Dichloro-alpha-methylbenzylamine
Basic information
- CAS
39226-94-3- Standard SMILES
CC(N)c1cccc(Cl)c1Cl- InChIKey
CZJMQTZQSNUDNV-UHFFFAOYSA-N- Molecular formula
- C8H9Cl2N
- Average molar mass
- 190.07 g/mol
- Monoisotopic mass
- 189.01120465
Overview
inhibitor of phenethanolamine N-methyltransferase; RN given refers to parent cpd without isomeric designation; structure
Names & identifiers
- Preferred name
- 2,3-Dichloro-alpha-methylbenzylamine
- IUPAC
- 1-(2,3-dichlorophenyl)ethanamine
- English name
- (+/-)-2 3-Dichloro-alpha-methyl-
- Molecular formula
- C8H9Cl2N
- Molecular weight
- 190.07
Names & synonyms
39226-94-32,3-dichloro-alpha-methylbenzylamineLY 78335DTXSID10960000RefChem:81603DTXCID3010081311-(2,3-dichlorophenyl)ethanamine1-(2,3-dichlorophenyl)ethan-1-amine(+/-)-2 3-DICHLORO-ALPHA-METHYL-MFCD06654499CHEMBL39493Lilly 78335
Show more names
2,3-dichloro-α-methylbenzylamineBenzenemethanamine, 2,3-dichloro-α-methyl-1-(2,3-Dichlorophenyl)ethan-1-amine - [D92535]
DCMBBenzenemethanamine, 2,3-dichloro-alpha-methyl-Lopac0_000476SCHEMBL158333DCMB, LY-78335CZJMQTZQSNUDNV-UHFFFAOYSA-NPBA22694BDBM50100952
Database identifiers
- CAS
39226-94-3- PubChem CID
- 1215
- DTXSID
DTXSID10960000- ChEMBL
CHEMBL39493- EC Number
- 880-855-1
- Nikkaji
- J554.570F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- storage temp.
- Desiccate at RT
- solubility
- 2 O: · H2O: Solutions may be stored for 1-2 days at 4 °C.soluble
- form
- solid
- color
- white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Applications
UsesLY 78335 is a phenylethanolamine N-methyl transferase inhibitor.
Suppliers
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Related reactions
2 records
Compound notes
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