Basic information
- CAS
1402694-63-6- Standard SMILES
C[N+](C)(C)CCCON.[Br-]- InChIKey
QTPOMZUMXZTOMC-UHFFFAOYSA-M- Molecular formula
- C6H17BrN2O
- Average molar mass
- 213.12 g/mol
- Monoisotopic mass
- 212.05243
Names & identifiers
- Preferred name
- O-[3-(trimethylazaniumyl)propyl]hydroxylamine bromide
- IUPAC
- 3-aminooxypropyl(trimethyl)azanium bromide
Names & synonyms
1402694-63-6O-[3-(trimethylazaniumyl)propyl]hydroxylamine bromideSCHEMBL31562169
Database identifiers
- CAS
1402694-63-6- PubChem CID
- 155683086
- EC Number
- 171-170-2
Properties
Computed structural properties
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 67.9
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
0 records
No reaction records under the current filter.
Compound notes
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