1-(2-Chlorophenyl)-1-(3-methoxyphenyl)methanamine
Basic information
- CAS
1183375-86-1- Standard SMILES
COc1cccc(C(N)c2ccccc2Cl)c1- InChIKey
GWFCQIPXJWTDTO-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO
- Average molar mass
- 247.72 g/mol
- Monoisotopic mass
- 247.0763918
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)-1-(3-methoxyphenyl)methanamine
- IUPAC
- (2-chlorophenyl)-(3-methoxyphenyl)methanamine
- English name
- (2-chlorophenyl)(3-methoxyphenyl)methanamine
- Molecular formula
- C14H14ClNO
- Molecular weight
- 247.72
Names & synonyms
1183375-86-11-(2-CHLOROPHENYL)-1-(3-METHOXYPHENYL)METHANAMINERefChem:421830861-276-3(2-chlorophenyl)(3-methoxyphenyl)methanamine(2-chlorophenyl)-(3-methoxyphenyl)methanamineIXB37586AKOS010259069EN300-85292Z733415428Benzenemethanamine, 2-chloro-α-(3-methoxyphenyl)-
Database identifiers
- CAS
1183375-86-1- PubChem CID
- 54595129
- EC Number
- 861-276-3
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 369 · 369.0±37.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- pka
- 7.84 · 7.84±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335-H302
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H335-H302
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…