N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine
Basic information
- CAS
84474-05-5- Standard SMILES
COc1cccc(CNc2ccc(C)c(Cl)c2)c1OC- InChIKey
BAQAIKMAMCQPFK-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO2
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1026065
Names & identifiers
- Preferred name
- N-(3-Chloro-P-tolyl)-2,3-dimethoxybenzylamine
- IUPAC
- 3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
- English name
- N-(3-Chloro-p-tolyl)-2,3-dimethoxybenzylamine
- Molecular formula
- C16H18ClNO2
- Molecular weight
- 291.77
Names & synonyms
N-(3-CHLORO-P-TOLYL)-2,3-DIMETHOXYBENZYLAMINERefChem:826407653-771-684474-05-53-chloro-n-(2,3-dimethoxybenzyl)-4-methylanilineNSC1599233-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4-methylanilineDTXSID50303674AKOS000225830NSC-159923DS-0141603-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4-methyl-aniline
Show more names
Benzenemethanamine, N-(3-chloro-4-methylphenyl)-2,3-dimethoxy-
Database identifiers
- CAS
84474-05-5- PubChem CID
- 293369
- DTXSID
DTXSID50303674- EC Number
- 653-771-6
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 407.6 · 407.6±40.0 °C(Predicted)
- Density
- 1.186 · 1.186±0.06 g/cm3(Predicted)
- pka
- 2.97 · 2.97±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 315 · H315-H410-H318-H302-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
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, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS09
- Hazard statements
- H315-H410-H318-H302-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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