Basic information
- CAS
100818-54-0- Standard SMILES
c1ccc(CNc2ncnc3ccccc23)cc1- InChIKey
FVWANTDQRFSCAL-UHFFFAOYSA-N- Molecular formula
- C15H13N3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.11094743
Overview
N-benzylquinazolin-4-amine is a member of the class of quinazolines that is quinazoline which is substituted by a benzylnitrilo group at position 4. It is a member of benzenes, a member of quinazolines and a secondary amino compound.
Names & identifiers
- Preferred name
- N-Benzylquinazolin-4-amine
- IUPAC
- N-benzylquinazolin-4-amine
- English name
- N-Benzylquinazoline-4-amine
- Molecular formula
- C15H13N3
- Molecular weight
- 235.28
Names & synonyms
N-Benzylquinazolin-4-amine100818-54-04-(Benzylamino)quinazolineN-(phenylmethyl)-4-quinazolinamineN-benzyl-N-(4-quinazolinyl)amineN-Benzylquinazoline-4-amineN-(Phenylmethyl)quinazolin-4-amine4-Quinazolinamine, N-(phenylmethyl)-Z1Q67P7111n-Benzylquinazolin-4(3h)-imineUNII-Z1Q67P7111N-benzyl-4-quinazolineamine
Show more names
4-Benzylaminoquinazoline4-Benzylamino-chinazolinbenzylquinazolin-4-ylamineChemDiv2_003678Oprea1_089836MLS000701321N-Benzyl-4-quinazolinamine #BDBM3256
Database identifiers
- CAS
100818-54-0- PubChem CID
- 616573
- DTXSID
DTXSID601015644- ChEMBL
CHEMBL102726- ChEBI
CHEBI:92768- UNII
- Z1Q67P7111
- Nikkaji
- J379.789I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
LogP3.21
Solubility>35.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 167 · 167-168 °C
- Boiling point
- 412.3 · 412.3±25.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- pka
- 5.68 · 5.68±0.30(Predicted)
- FDA UNII
- 1 Q67P7111 · Z1Q67P7111
Chemistry & industry
Suppliers1 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Additional notes
DefinitionChEBI: N-benzylquinazolin-4-amine is a member of the class of quinazolines that is quinazoline which is substituted by a benzylnitrilo group at position 4. It is a member of quinazolines, a secondary amino compound and a member of benzenes.
Related reactions
0 records
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Compound notes
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