1,3-Propanediamine, N1-(9Z)-9-octadecen-1-yl-, acetate (1:?)
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Basic information
- CAS
68856-30-4- Standard SMILES
CC(=O)O.CCCCCCCC/C=C\CCCCCCCCNCCCN- InChIKey
VRZCLRBQXKWXBG-KVVVOXFISA-N- Molecular formula
- C23H48N2O2
- Average molar mass
- 384.6 g/mol
- Monoisotopic mass
- 384.37157878
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N1-(9Z)-9-octadecen-1-yl-, acetate (1:?)
- IUPAC
- acetic acid;N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
- English name
- N-[(Z)-octadec-9-enyl]propane-1,3-diamine acetate
- Molecular formula
- C23H48N2O2
- Molecular weight
- 384.63942
Names & synonyms
Trimethylenediamine, acetate68856-30-4N-Oleyl-1,3-propylenediamine acetate1,3-Propanediamine, N1-(9Z)-9-octadecen-1-yl-, acetate (1:?)RefChem:415493DTXSID1058264N-Oleyl-1,3-propanediamine monoacetateN-Oleyl-1,3-propanediamine acetateJT5X446V1OEINECS 272-507-7N-((Z)-Octadec-9-enyl)propane-1,3-diamine acetate1,3-Propanediamine, N-(9Z)-9-octadecenyl-, acetate
Show more names
Tallow diamine acetateN-[(Z)-9-Octadecenyl]-1,3-propanediamine/acetic acid,(1:x)
1,3-Propanediamine, N-9-octadecenyl-, monoacetate, (Z)-1,3-Propanediamine, N-9-octadecenyl-, acetate (1:1), (Z)-N-((9Z)-Octadec-9-en-1-yl)propane-1,3-diamine acetate (1:1)1,3-Propanediamine, N1-((9Z)-9-octadecen-1-yl)-, acetate (1:1)7173-66-2N-[(Z)-octadec-9-enyl]propane-1,3-diamine acetateUNII-JT5X446V1OSCHEMBL28660700
Database identifiers
- CAS
68856-30-4、7173-66-2- PubChem CID
- 6437673
- UNII
- JT5X446V1O
- EC Number
- 272-507-7
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- FDA UNII
- 297 B9F58 · VR297B9F58
- EPA Substance Registry System
- -1 · N-Oleyl-1,3-propylenediamine acetate (68856-30-4)
- 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.
Hazard information
Regulatory InformationChemical: 1,3-Propanediamine, N-9-octadecenyl-, (Z)-, acetate
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanediamine, N1-(9Z)-9-octadecen-1-yl-, acetate (1:?): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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