Home Aminos 9-[2-(methylamino)ethyl]-9H-purin-6-amine, trifluoroacetic acid

9-[2-(methylamino)ethyl]-9H-purin-6-amine, trifluoroacetic acid

CAS No.:
1989659-44-0
Catalog Number:
AG01B2QR
Molecular Formula:
C10H13F3N6O2
Molecular Weight:
306.2444
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Product Description
Catalog Number:
AG01B2QR
Chemical Name:
9-[2-(methylamino)ethyl]-9H-purin-6-amine, trifluoroacetic acid
CAS Number:
1989659-44-0
Molecular Formula:
C10H13F3N6O2
Molecular Weight:
306.2444
MDL Number:
MFCD30342751
IUPAC Name:
9-[2-(methylamino)ethyl]purin-6-amine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C8H12N6.C2HF3O2/c1-10-2-3-14-5-13-6-7(9)11-4-12-8(6)14;3-2(4,5)1(6)7/h4-5,10H,2-3H2,1H3,(H2,9,11,12);(H,6,7)
InChI Key:
NGQIRNIEWMNJSU-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.CNCCn1cnc2c1ncnc2N
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.105g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
306.249g/mol
Monoisotopic Mass:
306.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties