(3-Chloro-4-ethoxy-5-methoxyphenyl)methanamine
Basic information
- CAS
938004-61-6- Standard SMILES
CCOc1c(Cl)cc(CN)cc1OC- InChIKey
HVUKTAJVZURFDP-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO2
- Average molar mass
- 215.67 g/mol
- Monoisotopic mass
- 215.0713064
Names & identifiers
- Preferred name
- (3-Chloro-4-ethoxy-5-methoxyphenyl)methanamine
- IUPAC
- (3-chloro-4-ethoxy-5-methoxyphenyl)methanamine
- English name
- (3-chloro-4-ethoxy-5-methoxyphenyl)methanamine
- Molecular formula
- C10H14ClNO2
- Molecular weight
- 215.68
Names & synonyms
(3-chloro-4-ethoxy-5-methoxyphenyl)methanamine938004-61-6CHEMBL4551268AKOS008118616CS-0250032ST45104299EN300-49093(3-chloro-4-ethoxy-5-methoxyphenyl)methylamineG45565Z234895739Benzenemethanamine, 3-chloro-4-ethoxy-5-methoxy-
Database identifiers
- CAS
938004-61-6- PubChem CID
- 19590262
- ChEMBL
CHEMBL4551268- EC Number
- 190-903-7
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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