Propanol, 3-[[(1,4-benzodioxan-2-yl)methyl]amino]-
Basic information
- CAS
74398-46-2- Standard SMILES
OCCCNCC1COc2ccccc2O1- InChIKey
HCSGAGXOCHYBLF-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- Propanol, 3-[[(1,4-benzodioxan-2-yl)methyl]amino]-
- IUPAC
- 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-1-ol
- English name
- 3-[(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-propan-1-ol
- Molecular weight
- 0
Names & synonyms
74398-46-2Propanol, 3-[[(1,4-benzodioxan-2-yl)methyl]amino]-SCHEMBL7277047DTXSID20334990AG-G-95638DB-2939823-{[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]amino}propan-1-ol3-[(2,3-Dihydro-benzo[1,4]dioxin-2- ylmethyl)-amino]-propan-1-ol3-[(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-amino]-propan-1-ol
Database identifiers
- CAS
74398-46-2- PubChem CID
- 522541
- DTXSID
DTXSID20334990
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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