Basic information
- CAS
6318-71-4- Standard SMILES
Nc1ccc(CCc2ccccn2)cc1- InChIKey
JLXIKRWYUBIXPX-UHFFFAOYSA-N- Molecular formula
- C13H14N2
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.11569846
Names & identifiers
- Preferred name
- 4-[2-(Pyridin-2-yl)ethyl]aniline
- IUPAC
- 4-(2-pyridin-2-ylethyl)aniline
- English name
- [4-(2-Pyridin-2-ylethyl)phenyl]amine dihydrochloride
- Molecular formula
- C13H14N2
- Molecular weight
- 198.26
Names & synonyms
6318-71-44-[2-(pyridin-2-yl)ethyl]aniline4-(2-pyridin-2-ylethyl)aniline4-[2-(2-Pyridinyl)ethyl]aniline4-(2-(Pyridin-2-yl)ethyl)anilineMLS0026394124-(2-pyridin-2-ylethyl)aniline dihydrochloride4-(2-(2-pyridyl)ethyl)phenylamineNSC31686[4-(2-Pyridin-2-ylethyl)phenyl]aminedihydrochlorideSCHEMBL3388725CHEMBL1733021
Show more names
Benzenamine, 4-[2-(2-pyridinyl)ethyl]-4-[2-(2-pyridinyl)ethyl]aniline(SALTDATA: 2HCl)[4-(2-Pyridin-2-ylethyl)phenyl]amine dihydrochloride
4-[2-(2-pyridyl)ethyl]anilineDTXSID30283465JLXIKRWYUBIXPX-UHFFFAOYSA-NHMS3080O05ALBB-010413MFCD10037578NSC-31686SBB018756
Database identifiers
- CAS
6318-71-4- PubChem CID
- 233289
- DTXSID
DTXSID30283465- ChEMBL
CHEMBL1733021
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 57 °C · 57 °C
- Boiling point
- 329.1 · 329.1±22.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 5.81 · 5.81±0.12(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
3 records
Compound notes
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