N,N-Dibutyl-1H-benzotriazole-1-methylamine
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Basic information
- CAS
15497-45-7- Standard SMILES
CCCCN(CCCC)Cn1nnc2ccccc21- InChIKey
CODGFEFCDWSFSV-UHFFFAOYSA-N- Molecular formula
- C15H24N4
- Average molar mass
- 260.38 g/mol
- Monoisotopic mass
- 260.20009678
Overview
See also: 1H-Benzotriazole-1-methanamine, N,N-dibutyl- (annotation moved to).
Names & identifiers
- Preferred name
- N,N-Dibutyl-1H-benzotriazole-1-methylamine
- IUPAC
- N-(benzotriazol-1-ylmethyl)-N-butylbutan-1-amine
- English name
- N,N-dibutyl-1H-benzotriazole-1-methylamine
- Molecular formula
- C15H24N4
- Molecular weight
- 260.38
Names & synonyms
N,N-Dibutyl-1H-benzotriazole-1-methylamine15497-45-7N-(benzotriazol-1-ylmethyl)-N-butylbutan-1-amineEINECS 239-524-11H-Benzotriazole-1-methanamine, N,N-dibutyl-6FF3YQM53LSCHEMBL3343025DTXSID60165760CODGFEFCDWSFSV-UHFFFAOYSA-NT551NS00051746T-551
Show more names
Benzotriazole derivativesN,N-Dibutyl-1H-benzotriazole-1-methanamine
N-[(1H-1,2,3-Benzotriazol-1-yl)methyl]-N-butylbutan-1-amine
Database identifiers
- CAS
15497-45-7- PubChem CID
- 84947
- DTXSID
DTXSID60165760- UNII
- 6FF3YQM53L
- EC Number
- 239-524-1
- Nikkaji
- J317.938I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 383.5 · 383.5±25.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- 7.13 · 7.13±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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