1-[(Phenylamino)methyl]benzotriazole
Basic information
- CAS
62001-29-0- Standard SMILES
c1ccc(NCn2nnc3ccccc32)cc1- InChIKey
XEZLZOGOVRJQMO-UHFFFAOYSA-N- Molecular formula
- C13H12N4
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.1061964
Overview
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Names & identifiers
- Preferred name
- 1-[(Phenylamino)methyl]benzotriazole
- IUPAC
- N-(benzotriazol-1-ylmethyl)aniline
- English name
- N-PHENYLBENZOTRIAZOLEMETHANAMINE
- Molecular formula
- C13H12N4
- Molecular weight
- 224.26
Names & synonyms
62001-29-01-[(Phenylamino)methyl]benzotriazoleN-(benzotriazol-1-ylmethyl)anilineN-(1H-1,2,3-Benzotriazol-1-ylmethyl)anilineN-(1H-benzotriazol-1-ylmethyl)anilineN-phenylbenzotriazolemethanamineN-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)anilineN-[(1H-1,2,3-benzotriazol-1-yl)methyl]anilineMFCD00160026(1H-1,2,3-Benzotriazol-1-ylmethyl)phenylaminen-phenyl-1h-benzotriazole-1-methanamineEnamine_001073
Show more names
1H-Benzotriazole-1-methanamine, N-phenyl-N-PHENYLBENZOTRIAZOLEMETHANAMINE, MIXTUR E OF BT1 AND BT2 ISOMERS
CBDivE_001764BIDD:GT0675SCHEMBL2494163(benzotriazolylmethyl)phenylamineSCHEMBL28933665DTXSID80341064XEZLZOGOVRJQMO-UHFFFAOYSA-NHMS1397A17
Database identifiers
- CAS
62001-29-0- PubChem CID
- 569724
- DTXSID
DTXSID80341064- Nikkaji
- J673.896F
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
- 137 · 137-143 °C(lit.)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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