Basic information
- CAS
31918-50-0- Standard SMILES
O=C(O)CCCCCNc1ncnc2nc[nH]c12- InChIKey
OAMAZZRKJZQBMP-UHFFFAOYSA-N- Molecular formula
- C11H15N5O2
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.12257474
Names & identifiers
- Preferred name
- Hexanoic acid, 6-(9H-purin-6-ylamino)-
- IUPAC
- 6-(7H-purin-6-ylamino)hexanoic acid
- English name
- 6-(7H-purin-6-ylamino)hexanoic acid
- Molecular formula
- C11H15N5O2
- Molecular weight
- 249.27
Names & synonyms
31918-50-06-(9H-Purin-6-ylamino)hexanoic acidBRN 0543494HEXANOIC ACID, 6-(9H-PURIN-6-YLAMINO)-epsilon-(6-Purinylamino)caproic acidDTXSID00185760RefChem:347717DTXCID401082516-((9H-purin-6-yl)amino)hexanoic acid6-[(9h-purin-6-yl)amino]hexanoic acidn6-(5-carboxypentyl)adenineCHEMBL3805846
Show more names
6-(7H-purin-6-ylamino)hexanoic acid
AKOS000189933AKOS0304883566-[(7H-Purin-6-yl)amino]hexanoic acidAE-848/32074038AG-690/07585057
Database identifiers
- CAS
31918-50-0- PubChem CID
- 36017
- DTXSID
DTXSID00185760- ChEMBL
CHEMBL3805846- Nikkaji
- J1.450.214I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 448.8 · 448.8±55.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 4.76 · 4.76±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Interbioscreen Ltd.[email protected]
Aldlab Chemicals, LLC[email protected]
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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