1-(2,1-Benzoxazol-5-yl)methanamine hydrochloride
Basic information
- CAS
2731011-14-4- Standard SMILES
Cl.NCc1ccc2nocc2c1- InChIKey
DHKFAWXBZSCTDS-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2O
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.0403406
Names & identifiers
- Preferred name
- 1-(2,1-Benzoxazol-5-yl)methanamine hydrochloride
- IUPAC
- 2,1-benzoxazol-5-ylmethanamine;hydrochloride
Names & synonyms
2731011-14-41-(2,1-benzoxazol-5-yl)methanamine hydrochlorideRefChem:420115960-773-3Benzo[c]isoxazol-5-ylmethanamine hydrochloride1-(2,1-benzoxazol-5-yl)methanaminehydrochlorideEN300-36600411
Database identifiers
- CAS
2731011-14-4- PubChem CID
- 165604751
- EC Number
- 960-773-3
Properties
Computed structural properties
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
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%)
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Related reactions
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Compound notes
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