Basic information
- CAS
298185-50-9- Standard SMILES
Cc1ccc(NC(C)C)cc1Br- InChIKey
OAIZUIJUSWRJEM-UHFFFAOYSA-N- Molecular formula
- C10H14BrN
- Average molar mass
- 228.13 g/mol
- Monoisotopic mass
- 227.03096
Names & identifiers
- Preferred name
- 3-bromo-4-methyl-N-(propan-2-yl)aniline
- IUPAC
- 3-bromo-4-methyl-N-propan-2-ylaniline
Names & synonyms
3-bromo-4-methyl-N-(propan-2-yl)aniline298185-50-9RefChem:498699869-064-23-bromo-N-isopropyl-4-methylaniline3-bromo-4-methyl-N-propan-2-ylanilineMFCD11938420SCHEMBL5374248OAIZUIJUSWRJEM-UHFFFAOYSA-NYLA185503-bromo-N-isopropyl-4-methyl-anilineAKOS012637762
Show more names
AS-95109SY160832(3-Bromo-4-methyl-phenyl)-isopropyl-amineCS-0235810EN300-161320F83151F653579Benzenamine, 3-bromo-4-methyl-N-(1-methylethyl)-
Database identifiers
- CAS
298185-50-9- PubChem CID
- 23291925
- EC Number
- 869-064-2
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 136
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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%)
Related reactions
4 records
Compound notes
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