Basic information
- CAS
61345-84-4- Standard SMILES
CCNCCCNCCCCNCCCNCC- InChIKey
PGMIWVSHZMWSSI-UHFFFAOYSA-N- Molecular formula
- C14H34N4
- Average molar mass
- 258.45 g/mol
- Monoisotopic mass
- 258.2783471
Overview
N(1),N(12)-diethylspermine is a substituted spermine that is spermine in which a hydrogen attached to each of the primary amino groups has been replaced by an ethyl group. It has a role as an antineoplastic agent. It is a substituted spermine, a tetramine, a polyazaalkane and a secondary amino compound.
Names & identifiers
- Preferred name
- N1,N12-bis(ethyl)spermine
- IUPAC
- N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine
- English name
- N(1), N(12)-diethylspermine
- Molecular formula
- C14H34N4
- Molecular weight
- 258.45
Names & synonyms
N(1), N(12)-diethylspermine61345-84-43XXE6ARW3HDE-343N1,N12-bis(ethyl)spermineRefChem:9273611,12-Besmn,n'-bis[3-(ethylamino)propyl]butane-1,4-diamineN(1),N(12)-Bis(ethyl)spermineBe-3-4-3N(1),N(12)-DiethylspermineBIS(ETHYL)SPERMINE
Show more names
1,4-Butanediamine, N1,N4-bis[3-(ethylamino)propyl]-
N1,N1'-(butane-1,4-diyl)bis(N3-ethylpropane-1,3-diamine)3,7,12,16-tetraazaoctadecaneN1, N12-DIETHYLSPERMINEDTXSID50976862Bio1_000372Tocris-0500UNII-3XXE6ARW3HCHEMBL18794
Database identifiers
- CAS
61345-84-4- PubChem CID
- 4283
- DTXSID
DTXSID50976862- ChEMBL
CHEMBL18794- ChEBI
CHEBI:90282- UNII
- 3XXE6ARW3H
- Nikkaji
- J386.724B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 300 °C · >300 °C (decomp)(Solv: ethanol (64-17-5); ethyl acetate (141-78-6); water (7732-18-5))
- Boiling point
- 368.4 · 368.4±10.0 °C(Predicted)
- Density
- 0.876 · 0.876±0.06 g/cm3(Predicted)
- pka
- 11.09 · 11.09±0.19(Predicted)
- FDA UNII
- 3 XXE6ARW3H · 3XXE6ARW3H
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Endogenous or exogenous substances which inhibit the normal growth of human and animal cells or micro-organisms, as distinguished from those affecting plant growth (= PLANT GROWTH REGULATORS).
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A substituted spermine that is spermine in which a hydrogen attached to each of the primary amino groups has been replaced by an ethyl group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…