Basic information
- CAS
62001-39-2- Standard SMILES
c1ccc(-c2ccccc2NCn2nnc3ccccc32)cc1- InChIKey
MMGJACDDPHZDHZ-UHFFFAOYSA-N- Molecular formula
- C19H16N4
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.13749653
Names & identifiers
- Preferred name
- N-(1H-benzotriazol-1-ylmethyl)biphenyl-2-amine
- IUPAC
- N-(benzotriazol-1-ylmethyl)-2-phenylaniline
- English name
- N-(1H-benzotriazol-1-ylmethyl)biphenyl-2-amine
- Molecular formula
- C19H16N4
- Molecular weight
- 300.36
Names & synonyms
N-(1H-benzotriazol-1-ylmethyl)biphenyl-2-amine62001-39-2N-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-[1,1'-biphenyl]-2-amineN-[(1H-1,2,3-benzotriazol-1-yl)methyl]-[1,1'-biphenyl]-2-amineN-(benzotriazol-1-ylmethyl)-2-phenylanilineCHEMBL4996648BBL003897MFCD00397244STK396405AKOS005433698VS-01449(benzotriazolylmethyl)(2-phenylphenyl)amine
Show more names
1H-Benzotriazole-1-methanamine, N-[1,1'-biphenyl]-2-yl-
ST50899739N-(benzotriazol-1-ylmethyl)-2-phenyl-anilineN-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)(1,1'-BIPHENYL)-2-AMINE
Database identifiers
- CAS
62001-39-2- PubChem CID
- 830264
- ChEMBL
CHEMBL4996648- EC Number
- 125-927-9
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Melting point
- 129 · 129-130 °C(Solv: ethanol (64-17-5))
- Boiling point
- 551.9 · 551.9±43.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 1.99 · 1.99±0.50(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Suppliers2 total
A2B Chem LLC[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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