Guanidine, (2-(N-ethyl-2,6-xylidino)ethyl)-
Basic information
- CAS
67226-99-7- Standard SMILES
CCN(CCN=C(N)N)c1c(C)cccc1C- InChIKey
ZLQCDDCYRBKNGS-UHFFFAOYSA-N- Molecular formula
- C13H22N4
- Average molar mass
- 234.34 g/mol
- Monoisotopic mass
- 234.18444672
Names & identifiers
- Preferred name
- Guanidine, (2-(N-ethyl-2,6-xylidino)ethyl)-
- IUPAC
- 2-[2-(N-ethyl-2,6-dimethylanilino)ethyl]guanidine
- English name
- 1-[2-(N-Ethyl-2,6-dimethylanilino)ethyl]guanidine
- Molecular formula
- C13H22N4
- Molecular weight
- 234.34
Names & synonyms
(2-(N-Ethyl-2,6-xylidino)ethyl)guanidineBRN 265565867226-99-7GUANIDINE, (2-(N-ETHYL-2,6-XYLIDINO)ETHYL)-DTXSID10217541RefChem:346716DTXCID60140032N''-{2-[(2,6-Dimethylphenyl)(ethyl)amino]ethyl}guanidine1-[2-(N-Ethyl-2,6-dimethylanilino)ethyl]guanidineGuanidine, N-[2-[(2,6-dimethylphenyl)ethylamino]ethyl]-
Database identifiers
- CAS
67226-99-7- PubChem CID
- 49606
- DTXSID
DTXSID10217541- Nikkaji
- J78.494J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 354.9 · 354.9±44.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.70(Predicted)
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Compound notes
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