Basic information
- CAS
20465-98-9- Standard SMILES
NCCCCCCNC(=O)CCCCCCCCC(=O)O- InChIKey
ZTBICKKYGNWYJO-UHFFFAOYSA-N- Molecular formula
- C16H32N2O3
- Average molar mass
- 300.44 g/mol
- Monoisotopic mass
- 300.24129289
Names & identifiers
- Preferred name
- 10-((6-Aminohexyl)amino)-10-oxodecanoic acid
- IUPAC
- 10-(6-aminohexylamino)-10-oxodecanoic acid
- English name
- 10-[(6-aminohexyl)amino]-10-oxodecanoic acid
- Molecular formula
- C16H32N2O3
- Molecular weight
- 300.44
Names & synonyms
20465-98-910-((6-Aminohexyl)amino)-10-oxodecanoic acid10-[(6-aminohexyl)amino]-10-oxodecanoic acidEINECS 243-841-0E12GI6S90MUNII-E12GI6S90MDTXSID00174432Decanoic acid, 10-((6-aminohexyl)amino)-10-oxo-RefChem:77398DTXCID1096923243-841-0ZTBICKKYGNWYJO-UHFFFAOYSA-N
Show more names
9-[(6-Aminohexyl)carbamoyl]nonanoic acidDecanoic acid, 10-[(6-aminohexyl)amino]-10-oxo-
NS00026638
Database identifiers
- CAS
20465-98-9- PubChem CID
- 88554
- DTXSID
DTXSID00174432- UNII
- E12GI6S90M
- EC Number
- 243-841-0
- Nikkaji
- J280.602I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 187 · 187-188 °C(Solv: methanol (67-56-1))
- Boiling point
- 521.2 · 521.2±35.0 °C(Predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
- FDA UNII
- 12 GI6S90M · E12GI6S90M
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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