9-(4-Aminophenyl)-9H-purin-6-amine

HCID 23155136
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Basic information

CAS
863675-87-0
Standard SMILES
Nc1ccc(-n2cnc3c(N)ncnc32)cc1
InChIKey
DBIAEDVQQQISIN-UHFFFAOYSA-N
Molecular formula
C11H10N6
Average molar mass
226.24 g/mol
Monoisotopic mass
226.09669432

Names & identifiers

Preferred name
9-(4-Aminophenyl)-9H-purin-6-amine
IUPAC
9-(4-aminophenyl)purin-6-amine

Names & synonyms

9-(4-Aminophenyl)-9H-purin-6-amine863675-87-0SCHEMBL3538512DTXSID70631062DBIAEDVQQQISIN-UHFFFAOYSA-N9-(4-aminophenyl)-9H-purin-6-ylamine[9-(4-aminophenyl)-9H-purin-6-yl]-amine

Database identifiers

CAS
863675-87-0
PubChem CID
23155136
DTXSID
DTXSID70631062

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
95.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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