Basic information
- CAS
5538-99-8- Standard SMILES
CCCCCCCCCCNCCCN- InChIKey
FHKWCXVXPHXBAC-UHFFFAOYSA-N- Molecular formula
- C13H30N2
- Average molar mass
- 214.39 g/mol
- Monoisotopic mass
- 214.24089897
Names & identifiers
- Preferred name
- N-Decyl-1,3-propanediamine
- IUPAC
- N'-decylpropane-1,3-diamine
- English name
- N-decylpropane-1,3-diamine
- Molecular formula
- C13H30N2
- Molecular weight
- 214.3907
Names & synonyms
N-Decylpropane-1,3-diaminen-decyl-1,3-propanediamine5538-99-8N'-decylpropane-1,3-diamineEINECS 226-903-11,3-Propanediamine, N-decyl-L02S92E4U2J225.007AN-DECYLTRIMETHYLENEDIAMINE3-(DECYLAMINO)PROPYLAMINEDTXSID702039251,3-PROPANEDIAMINE, N1-DECYL-
Show more names
RefChem:829773DTXCID00126416226-903-1UNII-L02S92E4U2N-decyl-1,3-diaminopropaneSCHEMBL166285CHEMBL3759021SCHEMBL25317086
Database identifiers
- CAS
5538-99-8- PubChem CID
- 79671
- DTXSID
DTXSID70203925- ChEMBL
CHEMBL3759021- UNII
- L02S92E4U2
- EC Number
- 226-903-1
- Nikkaji
- J225.007A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 296.5 · 296.5±8.0 °C(Predicted)
- Density
- 0.838 · 0.838±0.06 g/cm3(Predicted)
- pka
- 10.69 · 10.69±0.19(Predicted)
- FDA UNII
- 2 S92E4U2 · L02S92E4U2
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-decyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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