3-[(2-amino-9H-purin-6-yl)amino]propanoic acid
Basic information
- CAS
1573548-09-0- Standard SMILES
Nc1nc(NCCC(=O)O)c2nc[nH]c2n1- InChIKey
SMNUIRULLQNCJA-UHFFFAOYSA-N- Molecular formula
- C8H10N6O2
- Average molar mass
- 222.2 g/mol
Names & identifiers
- Preferred name
- 3-[(2-amino-9H-purin-6-yl)amino]propanoic acid
- IUPAC
- 3-[(2-amino-7H-purin-6-yl)amino]propanoic acid
- English name
- 3-((2-amino-9H-purin-6-yl)amino)propanoic acid
- Molecular formula
- C8H10N6O2
- Molecular weight
- 222.204
Names & synonyms
3-[(2-amino-9H-purin-6-yl)amino]propanoic acid1573548-09-03-[(2-amino-7H-purin-6-yl)amino]propanoic acid3-((2-amino-9H-purin-6-yl)amino)propanoic acidN-(2-amino-9H-purin-6-yl)-beta-alanineMFCD26522937YMC54809STL373140AKOS025248059VS-12062EN300-1866563-[(2-amino-9H-purin-6-yl)amino]propanoicacid
Show more names
β-Alanine, N-(2-amino-9H-purin-6-yl)-
Z1824568112
Database identifiers
- CAS
1573548-09-0
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Boiling point
- 811.1 · 811.1±75.0 °C(Predicted)
- Density
- 1.697 · 1.697±0.06 g/cm3(Predicted)
- pka
- 4.31 · 4.31±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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