Basic information
- CAS
105026-59-3- Standard SMILES
c1ccc(CNn2nnc3ccccc32)cc1- InChIKey
WTBFBDRLXNOOGE-UHFFFAOYSA-N- Molecular formula
- C13H12N4
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.1061964
Names & identifiers
- Preferred name
- N-Benzyl-1-aminobenzotriazole
- IUPAC
- N-benzylbenzotriazol-1-amine
- English name
- N-(α-Methylbenzyl)-1-aminobenzotriazole
- Molecular formula
- C13H12N4
- Molecular weight
- 224.26
Names & synonyms
105026-59-3N-Benzyl-1-aminobenzotriazole1-BBTRefChem:162928N-benzylbenzotriazol-1-amineN-(Phenylmethyl)-1H-benzotriazol-1-amineMLS0033739691H-Benzotriazole, 1-(phenylmethylamino)-n-benzyl-1h-benzotriazol-1-amineN-(A-METHYLBENZYL)-1-AMINOBENZOTRIAZOLEDTXSID60909303NSC622729
Show more names
N-(α-Methylbenzyl)-1-aminobenzotriazoleN-(α-Methylbenzyl)-1-aminobenzotriazole
N-benzyl-1H-1,2,3-benzotriazol-1-amine1H-Benzotriazol-1-amine, N-(phenylmethyl)-CHEMBL1967087SCHEMBL41742637NSC-622729NCI60_006747SMR002048757
Database identifiers
- CAS
105026-59-3- PubChem CID
- 4309
- DTXSID
DTXSID60909303- ChEMBL
CHEMBL1967087- Nikkaji
- J356.398G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 89 · 89-90 °C
- Boiling point
- 405.2 · 405.2±38.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2 · 2.00±0.30(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
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
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
Chemistry & industry
Suppliers2 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…