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9-(3-aminopropyl)-9H-purin-6-amine hydrochloride

HCID 54599433
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Basic information

CAS
23124-11-0
Standard SMILES
Cl.NCCCn1cnc2c(N)ncnc21
InChIKey
GWQWLIXZFMGMOS-UHFFFAOYSA-N
Molecular formula
C8H13ClN6
Average molar mass
228.68 g/mol
Monoisotopic mass
228.0890221

Names & identifiers

Preferred name
9-(3-aminopropyl)-9H-purin-6-amine hydrochloride
IUPAC
9-(3-aminopropyl)purin-6-amine;hydrochloride

Names & synonyms

9-(3-aminopropyl)-9H-purin-6-amine hydrochloride1864015-79-19-(3-aminopropyl)purin-6-amine;hydrochlorideDTXSID40945800NSC144668AKOS026747174NSC-144668EN300-2411039-(3-aminopropyl)-9H-purin-6-aminehydrochlorideF2167-14839-(3-Aminopropyl)-9H-purin-6-amine--hydrogen chloride (1/1)

Database identifiers

CAS
23124-11-0
PubChem CID
54599433
DTXSID
DTXSID40945800

Properties

Computed structural properties

Topological polar surface area
95.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
187

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