Basic information
- CAS
396-59-8- Standard SMILES
CN(C)CCN(Cc1ccc(F)cc1)c1ccccn1- InChIKey
VKMKSMCOLOJDJQ-UHFFFAOYSA-N- Molecular formula
- C16H20FN3
- Average molar mass
- 273.35 g/mol
- Monoisotopic mass
- 273.16412581
Names & identifiers
- Preferred name
- p-Fluorotripelennamine
- IUPAC
- N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
- English name
- 2-[N-(p-Fluorobenzyl)-N-(2-dimethylaminoethyl)amino]pyridine
- Molecular weight
- 0
Names & synonyms
p-Fluorotripelennamine396-59-8NE3YGV351MRefChem:1094192Pyridine, 2-((p-fluorobenzyl)(2-(dimethylamino)ethyl)amino)-WV 756BRN 02570822-((p-Fluorobenzyl)(2-(dimethylamino)ethyl)amino)pyridineN',N'-Dimethyl-N-(p-fluorobenzyl)-N-(2-pyridyl)ethylenediamineEthylenediamine, N',N'-dimethyl-N-(p-fluorobenzyl)-N-(2-pyridyl)-UNII-NE3YGV351MSCHEMBL30280471
Show more names
WV-7562-[N-(p-Fluorobenzyl)-N-(2-dimethylaminoethyl)amino]pyridine
DTXSID601927131,2-ETHANEDIAMINE, N1-((4-FLUOROPHENYL)METHYL)-N2,N2-DIMETHYL-N1-2-PYRIDINYL-N~1~-[(4-Fluorophenyl)methyl]-N~2~,N~2~-dimethyl-N~1~-(pyridin-2-yl)ethane-1,2-diamineN1-((4-FLUOROPHENYL)METHYL)-N2,N2-DIMETHYL-N1-2-PYRIDINYL-1,2-ETHANEDIAMINE
Database identifiers
- CAS
396-59-8- PubChem CID
- 9810
- DTXSID
DTXSID60192713- UNII
- NE3YGV351M
- Nikkaji
- J85.678I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 19.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- FDA UNII
- 3 YGV351M · NE3YGV351M
- Toxicity
- 50 subcutaneous · LD50 subcutaneous in mammal (species unspecified): 79mg/kg
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
- Toxicity
- LD50 subcutaneous in mammal (species unspecified): 79mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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