Basic information
- CAS
2089245-92-9- Standard SMILES
C[C@H](N)c1ccncc1Br.Cl.Cl- InChIKey
VJOQKEGANYHMEV-XRIGFGBMSA-N- Molecular formula
- C7H11BrCl2N2
- Average molar mass
- 273.98 g/mol
- Monoisotopic mass
- 271.94827
Names & identifiers
- Preferred name
- (1S)-1-(3-bromopyridin-4-yl)ethan-1-amine dihydrochloride
- IUPAC
- (1S)-1-(3-bromo-4-pyridinyl)ethanamine;dihydrochloride
Names & synonyms
2089245-92-9(1S)-1-(3-Bromopyridin-4-yl)ethan-1-amine dihydrochlorideRefChem:393704959-490-8(1S)-1-(3-bromopyridin-4-yl)ethanamine;dihydrochlorideEN300-370583(1S)-1-(3-Bromopyridin-4-yl)ethan-1-aminedihydrochloride(S)-1-(3-Bromopyridin-4-yl)ethan-1-amine dihydrochloride
Database identifiers
- CAS
2089245-92-9- PubChem CID
- 137838136
- EC Number
- 959-490-8
Properties
Computed structural properties
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 108
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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