N,N'-Bis(3-(ethylamino)propyl)-1,7-heptanediamine
Basic information
- CAS
132004-62-7- Standard SMILES
CCNCCCNCCCCCCCNCCCNCC- InChIKey
WIOJAQYPAPCEMC-UHFFFAOYSA-N- Molecular formula
- C17H40N4
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.32529729
Overview
polyamine oxidase inhibitor; structure given in first source
Names & identifiers
- Preferred name
- N,N'-Bis(3-(ethylamino)propyl)-1,7-heptanediamine
- IUPAC
- N,N'-bis[3-(ethylamino)propyl]heptane-1,7-diamine
- English name
- N,N'-bis(3-(ethylamino)propyl)-1,7-heptanediamine
- Molecular formula
- C17H40N4
- Molecular weight
- 0
Names & synonyms
Beph-3132004-62-7N,N'-Bis(3-(ethylamino)propyl)-1,7-heptanediamineY6070SUB4CDTXSID801573041,7-Heptanediamine, N,N'-bis(3-(ethylamino)propyl)-N,N'-Bis[3-(ethylamino)propyl]-1,7-heptanediamine3-BEPHRefChem:926408DTXCID7079795MDL-28314 tetrahydrochlorideT00RZ156PK
Show more names
3,7,15,19-Tetraazahenicosane
MDL-28314QABEPHN,N'-bis[3-(ethylamino)propyl]heptane-1,7-diamineMDL-28314N,N/'-Bis(3-(ethylamino)propyl)-1,7-heptanediamine1,7-Heptanediamine, N,N'-bis(3-(ethylamino)propyl)-, tetrahydrochlorideN,N'-Bis(3-(ethylamino)propyl)-1,7-heptanediamine tetrahydrochloride1,7-Heptanediamine, N1,N7-bis(3-(ethylamino)propyl)-, hydrochloride (1:4)
Database identifiers
- CAS
132004-62-7、134716-19-1- PubChem CID
- 60826
- DTXSID
DTXSID80157304- ChEMBL
CHEMBL81149- UNII
- Y6070SUB4C
- Nikkaji
- J357.113K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- FDA UNII
- 6070 SUB4C · Y6070SUB4C
Related reactions
5 records
Compound notes
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