Basic information
- CAS
21708-31-6- Standard SMILES
NCCCn1cnc2c(N)ncnc21- InChIKey
KQPXGPRXAFCZHY-UHFFFAOYSA-N- Molecular formula
- C8H12N6
- Average molar mass
- 192.22 g/mol
- Monoisotopic mass
- 192.11234438
Names & identifiers
- Preferred name
- 9h-Purine-9-propanamine, 6-amino-
- IUPAC
- 9-(3-aminopropyl)purin-6-amine
Names & synonyms
9-(3-aminopropyl)-9H-purin-6-amine21708-31-69h-purine-9-propanamine, 6-amino-9-(3-aminopropyl)purin-6-amine9-(3-aminopropyl)adenine9-(3'-aminopropyl)adenineSCHEMBL67131SCHEMBL454185KQPXGPRXAFCZHY-UHFFFAOYSA-DTXSID70944321KQPXGPRXAFCZHY-UHFFFAOYSA-NNSC144667
Show more names
AKOS010941526NSC-144667CS-0283636EN300-242707InChI=1/C8H12N6/c9-2-1-3-14-5-13-6-7(10)11-4-12-8(6)14/h4-5H,1-3,9H2,(H2,10,11,12)
Database identifiers
- CAS
21708-31-6- PubChem CID
- 286472
- DTXSID
DTXSID70944321
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Related reactions
3 records
Compound notes
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