Basic information
- CAS
4899-97-2- Standard SMILES
CCCCCCCCCCCCCCCC(=O)NCCCN- InChIKey
IHRBDIQRJRJFES-UHFFFAOYSA-N- Molecular formula
- C19H40N2O
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.3140639
Names & identifiers
- Preferred name
- Hexadecanamide, N-(3-aminopropyl)-
- IUPAC
- N-(3-aminopropyl)hexadecanamide
- English name
- N-(3-aminopropyl)hexadecan-1-amide
- Molecular formula
- C19H40N2O
- Molecular weight
- 312.53
Names & synonyms
Hexadecanamide, N-(3-aminopropyl)-4899-97-2EINECS 225-525-4Hexadecanoic acid, 1,3-propylenediamine monoamideDTXSID1063641RefChem:785966DTXCID7040657N-(3-aminopropyl)hexadecanamideN-(3-Aminopropyl)hexadecan-1-amideSCHEMBL115688CHEMBL3335322IHRBDIQRJRJFES-UHFFFAOYSA-N
Show more names
NS00031843
Database identifiers
- CAS
4899-97-2- PubChem CID
- 78611
- DTXSID
DTXSID1063641- ChEMBL
CHEMBL3335322- EC Number
- 225-525-4
- Nikkaji
- J262.521K
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 466.4 · 466.4±28.0 °C(Predicted)
- Density
- 0.888 · 0.888±0.06 g/cm3(Predicted)
- pka
- 16.22 · 16.22±0.46(Predicted)
- EPA Substance Registry System
- Hexadecanamide, N-(3-aminopropyl)- (4899-97-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexadecanamide, N-(3-aminopropyl)-: INACTIVE
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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