Basic information
- CAS
97019-79-9- Standard SMILES
CCCCCC(C)NCCNC(C)CCCCC- InChIKey
NLEJUTVEZBSYNE-UHFFFAOYSA-N- Molecular formula
- C16H36N2
- Average molar mass
- 256.47 g/mol
- Monoisotopic mass
- 256.28784916
Names & identifiers
- Preferred name
- N,N'-Bis(2-heptyl)-ethylenediamine
- IUPAC
- N,N'-di(heptan-2-yl)ethane-1,2-diamine
Names & synonyms
N,N'-Bis(2-heptyl)-ethylenediamine97019-79-9Ethylenediamine, N,N'-bis(1-methylhexyl)-n,n'-bis(1-methylhexyl)ethane-1,2-diamineDTXSID80914212N,N'-bis(2-Heptyl)ethylenediamineN~1~,N~2~-Di(heptan-2-yl)ethane-1,2-diamine
Database identifiers
- CAS
97019-79-9- PubChem CID
- 469909
- DTXSID
DTXSID80914212
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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