5-methyl-1-(4-methylphenyl)-1H-1,3-benzodiazol-2-amine
Basic information
- CAS
1156924-42-3- Standard SMILES
Cc1ccc(-n2c(N)nc3cc(C)ccc32)cc1- InChIKey
XYYFOPBRFCZTSM-UHFFFAOYSA-N- Molecular formula
- C15H15N3
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.12659749
Names & identifiers
- Preferred name
- 5-methyl-1-(4-methylphenyl)-1H-1,3-benzodiazol-2-amine
- IUPAC
- 5-methyl-1-(4-methylphenyl)benzimidazol-2-amine
- English name
- 5-Methyl-1-(4-methylphenyl)-1H-1,3-benzodiazol-2-amine
- Molecular formula
- C15H15N3
- Molecular weight
- 237.3
Names & synonyms
5-methyl-1-(4-methylphenyl)-1H-1,3-benzodiazol-2-amine1156924-42-35-methyl-1-(4-methylphenyl)benzimidazol-2-amineAKOS009853332CS-0265150EN300-96660G46135Z4451848881H-Benzimidazol-2-amine, 5-methyl-1-(4-methylphenyl)-
Database identifiers
- CAS
1156924-42-3- PubChem CID
- 43661864
- EC Number
- 141-775-6
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Boiling point
- 446.7 · 446.7±48.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 6.54 · 6.54±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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