N-[(8-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-methyl-1H-pyrazol-4-amine
Basic information
- CAS
1153973-98-8- Standard SMILES
Cn1cc(NCc2cc(Br)c3c(c2)OCCO3)cn1- InChIKey
LAXMSBDUCFLOFQ-UHFFFAOYSA-N- Molecular formula
- C13H14BrN3O2
- Average molar mass
- 324.17 g/mol
- Monoisotopic mass
- 323.02694
Names & identifiers
- Preferred name
- N-[(8-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-methyl-1H-pyrazol-4-amine
- IUPAC
- N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methylpyrazol-4-amine
Names & synonyms
DTXSID501134201N-[(8-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-methyl-1H-pyrazol-4-amine1153973-98-8
Database identifiers
- CAS
1153973-98-8- PubChem CID
- 43534741
- DTXSID
DTXSID501134201
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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