N-(4-Bromophenyl)veratrylamine
Basic information
- CAS
82363-35-7- Standard SMILES
COc1ccc(CNc2ccc(Br)cc2)cc1OC- InChIKey
ZGHWGISWKFMGEX-UHFFFAOYSA-N- Molecular formula
- C15H16BrNO2
- Average molar mass
- 322.2 g/mol
- Monoisotopic mass
- 321.03644
Names & identifiers
- Preferred name
- N-(4-Bromophenyl)veratrylamine
- IUPAC
- 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]aniline
- English name
- N-(4-Bromophenyl)-veratrylamine
- Molecular formula
- C15H16BrNO2
- Molecular weight
- 322.2
Names & synonyms
82363-35-7RefChem:827281N-(4-Bromophenyl)veratrylamine636-012-34-bromo-N-(3,4-dimethoxybenzyl)aniline4-bromo-N-[(3,4-dimethoxyphenyl)methyl]anilineOprea1_259859Oprea1_431424SCHEMBL8065663STK145651AKOS000240936(4-bromophenyl)(3,4-dimethoxybenzyl)amine
Show more names
N-(4-Bromophenyl)-veratrylamineBenzenemethanamine, N-(4-bromophenyl)-3,4-dimethoxy-
ST45111725[(3,4-dimethoxyphenyl)methyl](4-bromophenyl)amine4-bromo-N-[(3,4-dimethoxyphenyl)methyl]aniline--oxalic acid (1/1)
Database identifiers
- CAS
82363-35-7- PubChem CID
- 766065
- EC Number
- 636-012-3
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 107 °C · 107 °C
- Boiling point
- 415.4 · 415.4±40.0 °C(Predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- pka
- 3.18 · 3.18±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 410 · H410-H302-H315-H335-H318
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-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 39 reports by companies from 2 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,GHS09,GHS05
- Hazard statements
- H410-H302-H315-H335-H318
- Precautionary statements
- P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-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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