[(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-acetic acid hydrochloride
Basic information
- CAS
1052527-52-2- Standard SMILES
Cl.O=C(O)CNCC1COc2ccccc2O1- InChIKey
WJPZLISMTWMWCG-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO4
- Average molar mass
- 259.68 g/mol
- Monoisotopic mass
- 259.0611356
Names & identifiers
- Preferred name
- [(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-acetic acid hydrochloride
- IUPAC
- 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)acetic acid;hydrochloride
- English name
- [(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-acetic acid hydrochloride
- Molecular formula
- C11H14ClNO4
- Molecular weight
- 259.69
Names & synonyms
1052527-52-2[(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-acetic acid hydrochloride2-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)acetic acid hydrochloride2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)acetic acid;hydrochlorideSMR000010655MLS000068078CHEMBL1509279DTXSID50424939AKOS0158486082-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)aceticacidhydrochlorideN-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]glycine--hydrogen chloride (1/1)
Database identifiers
- CAS
1052527-52-2- PubChem CID
- 6602985
- DTXSID
DTXSID50424939- ChEMBL
CHEMBL1509279
Properties
Computed structural properties
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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