AC1NPHQN
3-(1,3-benzodioxol-5-ylmethyl)-6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium
Also Known As: 3-(1,3-benzodioxol-5-ylmethyl)-6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium|3-[(2H-1,3-Benzodioxol-5-yl)methyl]-6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium
CAS: 6706-68-9
| Molecular Formula | C18H19ClNO3+ |
|---|---|
| Molecular Weight | 332.10535 g/mol |
| LogP | 2.62054 |
| Topological Polar Surface Area | 32.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.10535 |
| Monoisotopic Mass | 332.10535 |
| Heavy Atoms | 23 |
| Complexity | 775.3474 |
Chemical Identifiers
| CAS Number | 6706-68-9 |
|---|---|
| SMILES | CC1=CC2=C(C[NH+](CO2)CC3=CC4=C(C=C3)OCO4)C(=C1Cl)C |
Product Overview
AC1NPHQN (CAS 6706-68-9), with molecular formula C18H19ClNO3+ and molecular weight 332.10535 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-6-chloro-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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