Basic information
- CAS
1266893-65-5- Standard SMILES
CC(C)(N)CCc1cccc(Br)c1- InChIKey
VKDLTAMOMMUFGN-UHFFFAOYSA-N- Molecular formula
- C11H16BrN
- Average molar mass
- 242.16 g/mol
- Monoisotopic mass
- 241.04661
Names & identifiers
- Preferred name
- 4-(3-Bromophenyl)-2-methylbutan-2-amine
- IUPAC
- 4-(3-bromophenyl)-2-methylbutan-2-amine
Names & synonyms
4-(3-Bromophenyl)-2-methylbutan-2-amine1266893-65-5EN300-1914185
Database identifiers
- CAS
1266893-65-5- PubChem CID
- 82117635
- EC Number
- 171-340-6
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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