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208851-92-7 | 9H-Purin-6-amine, 9-(8-bromooctyl)-
CAS No: 208851-92-7 Catalog No: AG002JWY MDL No:
Product Description
Catalog Number:
AG002JWY
Chemical Name:
9H-Purin-6-amine, 9-(8-bromooctyl)-
CAS Number:
208851-92-7
Molecular Formula:
C13H20BrN5
Molecular Weight:
326.2354
IUPAC Name:
9-(8-bromooctyl)purin-6-amine
InChI:
InChI=1S/C13H20BrN5/c14-7-5-3-1-2-4-6-8-19-10-18-11-12(15)16-9-17-13(11)19/h9-10H,1-8H2,(H2,15,16,17)
InChI Key:
BTYCFWVRCUPLQY-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCn1cnc2c1ncnc2N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.242g/mol
Monoisotopic Mass:
325.09g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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