Homocaldopentamine
Basic information
- CAS
84807-66-9- Standard SMILES
NCCCCNCCCNCCCNCCCN- InChIKey
FPTWYQKWFMIJPT-UHFFFAOYSA-N- Molecular formula
- C13H33N5
- Average molar mass
- 259.44 g/mol
- Monoisotopic mass
- 259.27359607
Overview
Homocaldopentamine has been reported in Thermus thermophilus with data available.
Names & identifiers
- Preferred name
- Homocaldopentamine
- IUPAC
- N'-[3-[3-(3-aminopropylamino)propylamino]propyl]butane-1,4-diamine
- English name
- homocaldopentamine
- Molecular weight
- 0
Names & synonyms
Homocaldopentamine84807-66-91,6-Diamino-4,8,12-triazahexadecaneDTXSID102338671,4-Butanediamine, N-(3-((3-((3-aminopropyl)amino)propyl)amino)propyl)-RefChem:146705DTXCID40156358N'-(3-(3-(3-aminopropylamino)propylamino)propyl)butane-1,4-diamineSCHEMBL31691011,16-diamino-4,8,12-triazahexadecaneN~1~-[3-({3-[(3-Aminopropyl)amino]propyl}amino)propyl]butane-1,4-diamine
Database identifiers
- CAS
84807-66-9- PubChem CID
- 196565
- DTXSID
DTXSID10233867- Nikkaji
- J576.163H
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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