9h-Purine-9-propanamine, 6-amino-

HCID 286472

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

Related reactions

3 records

Compound notes

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