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100960-20-1 | 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-
CAS No: 100960-20-1 Catalog No: AG0003BK MDL No:
Product Description
Catalog Number:
AG0003BK
Chemical Name:
9H-Purin-6-amine, 2-chloro-N,N-dimethyl-
CAS Number:
100960-20-1
Molecular Formula:
C7H8ClN5
Molecular Weight:
197.6249
IUPAC Name:
2-chloro-N,N-dimethyl-7H-purin-6-amine
InChI:
InChI=1S/C7H8ClN5/c1-13(2)6-4-5(10-3-9-4)11-7(8)12-6/h3H,1-2H3,(H,9,10,11,12)
InChI Key:
BJAYANZFEQNNDV-UHFFFAOYSA-N
SMILES:
Clc1nc(N(C)C)c2c(n1)[nH]cn2
NSC Number:
15415
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.626g/mol
Monoisotopic Mass:
197.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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