Basic information
- CAS
261633-75-4- Standard SMILES
NCCc1cccc2c1OCCO2- InChIKey
NQAKBMINJHHNDM-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 2-(2,3-Dihydro-1,4-benzodioxin-5-yl)ethan-1-amine
- IUPAC
- 2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
Names & synonyms
2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethan-1-amine261633-75-4RefChem:451794860-563-02-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-ethylamine2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamineSCHEMBL1010573NQAKBMINJHHNDM-UHFFFAOYSA-NLKA63375AKOS006302666CS-0258306EN300-697277
Database identifiers
- CAS
261633-75-4- PubChem CID
- 21843623
- EC Number
- 860-563-0
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- 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
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
3 records
Compound notes
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