1,12-Diamino-4,8-diazadodecane
AlkaPlorer ID: AK019604
Synonym: N-[3-[(3-Aminopropyl)amino]propyl]-1,4-butanediamine, 1,5,9,14-Tetraazatetradecane, Thermospermine, PA334
IUPAC Name: N'-[3-(3-aminopropylamino)propyl]butane-1,4-diamine
Structure
SMILES: NCCCCNCCCNCCCN
InChI: InChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2
InChIKey: DODDBCGMRAFLEB-UHFFFAOYSA-N
Reference
PubChem CID: 194365
CAS: 70862-11-2
LOTUS: LTS0136028
SuperNatural Ⅲ: SN0070907
COCONUT: CNP0394850
{NPAtlas: NPA010310
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hololena curta | Hololena | Agelenidae | Araneae | Arachnida | Arthropoda | Metazoa | Eukaryota |
| Agrobacterium sp. | Agrobacterium | Rhizobiaceae | Hyphomicrobiales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
| None | Acidothermus | Acidothermaceae | Acidothermales | Actinomycetes | Actinomycetota | None | Bacteria |
| Vicia sativa | Vicia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 202.346
TPSA？: 76.1
MolLogP？: -0.3565999999999977
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | No relevant target | pK1 | 7.59 | None | 10.1021/jm950488s |
| None | No relevant target | pK2 | 9.24 | None | 10.1021/jm950488s |
| None | No relevant target | pK3 | 10.49 | None | 10.1021/jm950488s |
| None | No relevant target | pK4 | 11.14 | None | 10.1021/jm950488s |