Benzenemethanamine, N-ethyl-N-[4-(1H-1,2,4-triazol-3-ylazo)phenyl]-
Basic information
- CAS
13486-13-0- Standard SMILES
CCN(Cc1ccccc1)c1ccc(N=Nc2ncn[nH]2)cc1- InChIKey
CAAQCABQPNOOQQ-UHFFFAOYSA-N- Molecular formula
- C17H18N6
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1592946
Names & identifiers
- Preferred name
- Benzenemethanamine, N-ethyl-N-[4-(1H-1,2,4-triazol-3-ylazo)phenyl]-
- IUPAC
- N-benzyl-N-ethyl-4-(1H-1,2,4-triazol-5-yldiazenyl)aniline
- English name
- N-ethyl-N-[4-(1H-1,2,4-triazol-3-ylazo)phenyl]benzylamine
- Molecular formula
- C17H18N6
- Molecular weight
- 306.37
Names & synonyms
13486-13-0Benzenemethanamine, N-ethyl-N-[4-(1H-1,2,4-triazol-3-ylazo)phenyl]-N-ETHYL-N-[4-(1H-1,2,4-TRIAZOL-3-YLAZO)PHENYL]BENZYLAMINEN-benzyl-N-ethyl-4-(1H-1,2,4-triazol-5-yldiazenyl)anilineBenzenemethanamine, N-ethyl-N-(4-(1H-1,2,4-triazol-3-ylazo)phenyl)-EINECS 236-796-3N-Ethyl-N-(4-(1H-1,2,4-triazol-3-ylazo)phenyl)benzylamineDTXSID60655093-((p-(Benzylethylamino)phenyl)azo)-1H-1,2,4-triazoleCAAQCABQPNOOQQ-UHFFFAOYSA-NBenzenemethanamine, N-ethyl-N-(4-(2-(1H-1,2,4-triazol-5-yl)diazenyl)phenyl)-NS00053298
Show more names
3-[4-(N-Benzyl-N-ethylamino)phenylazo]-2H-1,2,4-triazoleN-Ethyl-N-[4-(1H-1,2,4-triazol-3-ylazo)phenyl]benzenemethanamine
N-Benzyl-N-ethyl-4-[(1H-1,2,4-triazol-5-yl)diazenyl]aniline
Database identifiers
- CAS
13486-13-0- PubChem CID
- 83526
- DTXSID
DTXSID6065509- EC Number
- 236-796-3
- Nikkaji
- J32.418C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Boiling point
- 531.983 · 531.983±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.205 · 1.205±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.07 · 8.070±0.20(predicted)
- EPA Substance Registry System
- 4 · Benzenemethanamine, N-ethyl-N-[4-(1H-1,2,4-triazol-3-ylazo)phenyl]- (13486-13-0)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanamine, N-ethyl-N-[4-[2-(1H-1,2,4-triazol-5-yl)diazenyl]phenyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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