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175600-96-1 | 3H-Purine-3,6-diamine
CAS No: 175600-96-1 Catalog No: AG00212P MDL No:
Product Description
Catalog Number:
AG00212P
Chemical Name:
3H-Purine-3,6-diamine
CAS Number:
175600-96-1
Molecular Formula:
C5H6N6
Molecular Weight:
150.1413
IUPAC Name:
6-imino-7H-purin-3-amine
InChI:
InChI=1S/C5H6N6/c6-4-3-5(9-1-8-3)11(7)2-10-4/h1-2,6H,7H2,(H,8,9)
InChI Key:
VDVGLQGQWQNDHG-UHFFFAOYSA-N
SMILES:
Nc1ncn(c2c1ncn2)N
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
150.145g/mol
Monoisotopic Mass:
150.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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