Basic information
- CAS
2731014-68-7- Standard SMILES
Cl.NCc1cc2ccc(Br)cc2[nH]1- InChIKey
XJAFGRWOQAEFKI-UHFFFAOYSA-N- Molecular formula
- C9H10BrClN2
- Average molar mass
- 261.54 g/mol
- Monoisotopic mass
- 259.97159
Names & identifiers
- Preferred name
- 1-(6-bromo-1H-indol-2-yl)methanamine hydrochloride
- IUPAC
- (6-bromo-1H-indol-2-yl)methanamine;hydrochloride
Names & synonyms
2731014-68-71-(6-bromo-1H-indol-2-yl)methanamine hydrochlorideRefChem:426708960-774-9(6-Bromo-1H-indol-2-yl)methanamine hydrochloride1-(6-bromo-1H-indol-2-yl)methanaminehydrochlorideMFCD34563031SY574853EN300-37083858
Database identifiers
- CAS
2731014-68-7- PubChem CID
- 165683041
- EC Number
- 960-774-9
Properties
Computed structural properties
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
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, 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
0 records
No reaction records under the current filter.
Compound notes
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