Basic information
- CAS
21398-65-2- Standard SMILES
CCCNCC1COc2ccccc2O1- InChIKey
NDBVZFMGYMXMQA-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- 2,3-Dihydro-N-propyl-1,4-benzodioxin-2-methanamine
- IUPAC
- N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propan-1-amine
- English name
- n-propyl-4-benzodioxan-2-methylamine
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
21398-65-2RefChem:10593842,3-Dihydro-N-propyl-1,4-benzodioxin-2-methanaminen-Propylaminomethylbenzodioxann-propyl-4-benzodioxan-2-methylamine[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl](propyl)amineMLS0005656231051FSMR000152736BRN 0185440N-Propyl-1,4-benzodioxan-2-methylamine1,4-BENZODIOXAN-2-METHYLAMINE, N-PROPYL-
Show more names
Viloxazine Impurity 11((S)-Viloxazine Hydrochloride)1,4-Benzodioxin-2-methanamine, 2,3-dihydro-N-propyl-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-propyl-amine
SCHEMBL1043449CHEMBL1625219SCHEMBL10864903SCHEMBL29353196BDBM48511cid_9552052DTXSID40943947N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propan-1-amine
Database identifiers
- CAS
21398-65-2- PubChem CID
- 30613
- DTXSID
DTXSID40943947- ChEMBL
CHEMBL1625219
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Chemistry & industry
Suppliers2 total
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…