Basic information
- CAS
52401-15-7- Standard SMILES
CC1(CC[NH+]2CCOCC2)Oc2ccc([NH3+])cc2O1.[Cl-].[Cl-]- InChIKey
MUEKSYGVLDVJKT-UHFFFAOYSA-N- Molecular formula
- C14H22Cl2N2O3
- Average molar mass
- 337.2 g/mol
- Monoisotopic mass
- 336.100748
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 5-amino-2-methyl-2-(2-morpholinoethyl)-, dihydrochloride, hemihydrate
- IUPAC
- [2-methyl-2-(2-morpholin-4-ium-4-ylethyl)-1,3-benzodioxol-5-yl]azanium dichloride
Names & synonyms
1,3-Benzodioxole, 5-amino-2-methyl-2-(2-morpholinoethyl)-, dihydrochloride, hemihydrate4-(2-(5-Amino-2-methyl-1,3-benzodioxol-2-yl)ethyl)morpholine dihydrochloride hemihydrate5-Amino-2-methyl-2-(2-morpholinoethyl)-1,3-benzodioxole dihydrochloride hemihydrate52401-15-7RefChem:217885
Database identifiers
- CAS
52401-15-7- PubChem CID
- 40376
Properties
Computed structural properties
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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