Basic information
- CAS
40288-71-9- Standard SMILES
c1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1- InChIKey
WXCHSHPXEPXKFN-UHFFFAOYSA-N- Molecular formula
- C21H17N3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.14224756
Names & identifiers
- Preferred name
- N-Benzyl-2-phenyl-4-quinazolinamine
- IUPAC
- N-benzyl-2-phenylquinazolin-4-amine
- English name
- N-Benzyl-2-phenyl-4-quinazolinamine
- Molecular formula
- C21H17N3
- Molecular weight
- 311.38
Names & synonyms
N-Benzyl-2-phenyl-4-quinazolinamineRefChem:829146662-889-7N-benzyl-2-phenylquinazolin-4-amine40288-71-9Benzyl-(2-phenyl-quinazolin-4-yl)-amineCHEMBL72650Oprea1_710967Oprea1_781281MLS001210388SCHEMBL10837634-Benzylamino-2-phenylquinazolin
Show more names
4-Quinazolinamine, 2-phenyl-N-(phenylmethyl)-
DTXSID101320509HMS2816J14KUC104420NBDBM50033296EBC-07110KSC-1-145benzyl(2-phenylquinazolin-4-yl)amineAKOS000533392
Database identifiers
- CAS
40288-71-9- PubChem CID
- 780643
- DTXSID
DTXSID101320509- ChEMBL
CHEMBL72650- EC Number
- 662-889-7
- Nikkaji
- J694.059E
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 373
Experimental & physicochemical properties
Solubility1.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 427.4 · 427.4±38.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- pka
- 5.52 · 5.52±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 413 · H413-H302-H315-H318-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H413-H302-H315-H318-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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