Basic information
- CAS
446829-14-7- Standard SMILES
O=C(O)CCNc1ncnc2ccc(Br)cc12- InChIKey
JUEPIWSJQXPKLI-UHFFFAOYSA-N- Molecular formula
- C11H10BrN3O2
- Average molar mass
- 296.12 g/mol
- Monoisotopic mass
- 294.99564
Names & identifiers
- Preferred name
- 3-[(6-bromoquinazolin-4-yl)amino]propanoic Acid
- IUPAC
- 3-[(6-bromoquinazolin-4-yl)amino]propanoic acid
- English name
- 3-(6-Bromo-quinazolin-4-ylamino)-propionic acid
- Molecular formula
- C11H10BrN3O2
- Molecular weight
- 296.12
Names & synonyms
446829-14-73-[(6-bromoquinazolin-4-yl)amino]propanoic Acid3-((6-Bromoquinazolin-4-yl)amino)propanoic acidN-(6-bromoquinazolin-4-yl)-beta-alanineNeuro1_000366Oprea1_677907Oprea1_8065683-(6-BROMO-QUINAZOLIN-4-YLAMINO)-PROPANOIC ACIDSCHEMBL13621683DTXSID10351176HMS1615N14SBB015719
Show more names
β-Alanine, N-(6-bromo-4-quinazolinyl)-
AKOS000272991N-(6-bromo-4-quinazolinyl)-beta-alanineEU-0007101ST501963923-((6-Bromoquinazolin-4-yl)amino)propanoicacidAE-641/14824049SR-01000112764SR-01000112764-1
Database identifiers
- CAS
446829-14-7- PubChem CID
- 693102
- DTXSID
DTXSID10351176
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 525.7 · 525.7±45.0 °C(Predicted)
- Density
- 1.708 · 1.708±0.06 g/cm3(Predicted)
- pka
- 4.2 · 4.20±0.10(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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