Basic information
- CAS
110319-67-0- Standard SMILES
NCCCNCC#CCNCCCN- InChIKey
JHTHWQGESSFWFP-UHFFFAOYSA-N- Molecular formula
- C10H22N4
- Average molar mass
- 198.31 g/mol
- Monoisotopic mass
- 198.18444672
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6-Spermyne
- IUPAC
- N,N'-bis(3-aminopropyl)but-2-yne-1,4-diamine
- English name
- 6-spermyne
- Molecular formula
- C10H22N4
- Molecular weight
- 198.31
Names & synonyms
6-Spermyne110319-67-0RefChem:1052632-Butyne-1,4-diamine, N,N'-bis(3-aminopropyl)-N,N'-bis(3-aminopropyl)but-2-yne-1,4-diamineDTXSID30911579N~1~,N~4~-Bis(3-aminopropyl)but-2-yne-1,4-diamine2-Butyne-1,4-diamine, N1,N4-bis(3-aminopropyl)-
Database identifiers
- CAS
110319-67-0- PubChem CID
- 130634
- DTXSID
DTXSID30911579
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 352.347 · 352.347±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.982 · 0.982±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.369 · 10.369±0.10(predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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