Basic information
- CAS
13274-42-5- Standard SMILES
NCCCNCCCNCCCNCCCN- InChIKey
BELZJFWUNQWBES-UHFFFAOYSA-N- Molecular formula
- C12H31N5
- Average molar mass
- 245.41 g/mol
- Monoisotopic mass
- 245.25794601
Overview
Caldopentamine is a polyazaalkane that is the 1,5,9,13,17-pentaaza derivative of heptodecane. It has a role as a marine metabolite. It is a polyazaalkane, a primary amino compound and a secondary amino compound. It is a conjugate base of a caldopentamine(4+).
Names & identifiers
- Preferred name
- Caldopentamine
- IUPAC
- N'-[3-[3-(3-aminopropylamino)propylamino]propyl]propane-1,3-diamine
- English name
- N-(3-aminopropyl)-N'-[3-[(3-aminopropyl)amino]propyl]propane-1,3-diamine
- Molecular formula
- C12H31N5
- Molecular weight
- 245.40804
Names & synonyms
Caldopentamine13274-42-5TetrapropylenepentamineTetratrimethylenepentamineN'-[3-[3-(3-aminopropylamino)propylamino]propyl]propane-1,3-diamine1,15-diamino-4,8,12-triazapentadecaneN-(3-Aminopropyl)-N'-(3-((3-aminopropyl)amino)propyl)-1,3-propanediamineDTXSID1065392CHEBI:835461,3-Propanediamine, N-(3-aminopropyl)-N'-(3-((3-aminopropyl)amino)propyl)-N-(3-Aminopropyl)-N'-(3-((3-aminopropyl)amino)propyl)propane-1,3-diamine1,17-diamino-4,9,14-triazaheptadecane
Show more names
Einecs 236-272-4N,N'-Bis(3-aminopropyl)[3,3'-iminobis(1-propaneamine)]Dipropylamine, 3,3'-bis((3-(aminopropyl))amino)- (7ci,8ci)n-(3-aminopropyl)-n'-[3-[(3-aminopropyl)amino]propyl]-3-propanediaminen-(3-aminopropyl)-n'-(3-((3-aminopropyl)amino)propyl)-3-propanediamine
N-(3-Aminopropyl)-N'-[3-[(3-aminopropyl)amino]propyl]propane-1,3-diaminen-(3-aminopropyl)-n'-{3-[(3-aminopropyl)amino]propyl}propane-1,3-diamine1,3-Propanediamine, N-(3-aminopropyl)-N'-[3-[(3-aminopropyl)amino]propyl]-N'-(3-(3-(3-aminopropylamino)propylamino)propyl)propane-1,3-diamineN-(3-Aminopropyl)-N'-{3-[(3-aminopropyl)amino]propyl}-1,3-propanediamineRefChem:5736401,17-DATAHDTXCID8034110
Database identifiers
- CAS
13274-42-5- PubChem CID
- 83290
- DTXSID
DTXSID1065392- ChEBI
CHEBI:83546- EC Number
- 236-272-4
- Nikkaji
- J213.800J
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 125 · 125-130 °C
- Boiling point
- 125 · 125-130 °C(Press: 0.07 Torr)
- Density
- 0.942 · 0.942±0.06 g/cm3(Predicted)
- pka
- 10.54 · 10.54±0.19(Predicted)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 1 · 1,3-Propanediamine, N-(3-aminopropyl)-N'-[3-[(3-aminopropyl)amino]propyl]- (13274-42-5)
- RIDADR
- 2927 · 2927
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,3-Propanediamine, N-(3-aminopropyl)-N'-[3-[(3-aminopropyl)amino]propyl]-
Safety data
- tsca
- TSCA listed
- ridadr
- 2927
- hazard_class
- 6.1
- packing_group
- II
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanediamine, N1-(3-aminopropyl)-N3-[3-[(3-aminopropyl)amino]propyl]-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Additional notes
DefinitionChEBI: A polyazaalkane that is the 1,5,9,13,17-pentaaza derivative of heptodecane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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