Basic information
- CAS
52400-98-3- Standard SMILES
CCN(CC)CCNCCC1(C)Oc2ccccc2O1- InChIKey
HNHXXRVYNWQTLJ-UHFFFAOYSA-N- Molecular formula
- C16H26N2O2
- Average molar mass
- 278.39 g/mol
- Monoisotopic mass
- 278.19942808
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N,N-diethyl-N'-(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)-
- IUPAC
- N',N'-diethyl-N-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]ethane-1,2-diamine
Names & synonyms
LR 359BRN 143148552400-98-31,2-Ethanediamine, N,N-diethyl-N'-(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)-DTXSID70200419N,N-Diethyl-N'-(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)-1,2-ethanediamineRefChem:216249DTXCID20122910N~1~,N~1~-Diethyl-N~2~-[2-(2-methyl-2H-1,3-benzodioxol-2-yl)ethyl]ethane-1,2-diamine
Database identifiers
- CAS
52400-98-3- PubChem CID
- 40371
- DTXSID
DTXSID70200419
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 33.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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