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13020-83-2 | 9H-Purin-6-aminium, N,N,N-trimethyl-, chloride (1:1)
CAS No: 13020-83-2 Catalog No: AG000U4O MDL No:
Product Description
Catalog Number:
AG000U4O
Chemical Name:
9H-Purin-6-aminium, N,N,N-trimethyl-, chloride (1:1)
CAS Number:
13020-83-2
Molecular Formula:
C8H12ClN5
Molecular Weight:
213.6674
IUPAC Name:
trimethyl(7H-purin-6-yl)azanium;chloride
InChI:
InChI=1S/C8H12N5.ClH/c1-13(2,3)8-6-7(10-4-9-6)11-5-12-8;/h4-5H,1-3H3,(H,9,10,11,12);1H/q+1;/p-1
InChI Key:
JSVIFNMHKUROQN-UHFFFAOYSA-M
SMILES:
C[N+](c1ncnc2c1nc[nH]2)(C)C.[Cl-]
UNII:
M0D2MM116H
NSC Number:
51095
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.078g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.669g/mol
Monoisotopic Mass:
213.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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