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14629-13-1 | Guanidine, [(4-iodophenyl)methyl]-, sulfate (2:1) (9CI)
CAS No: 14629-13-1 Catalog No: AG001DV4 MDL No:
Product Description
Catalog Number:
AG001DV4
Chemical Name:
Guanidine, [(4-iodophenyl)methyl]-, sulfate (2:1) (9CI)
CAS Number:
14629-13-1
Molecular Formula:
C8H10IN3
Molecular Weight:
275.0896
IUPAC Name:
2-[(4-iodophenyl)methyl]guanidine;sulfuric acid
InChI:
InChI=1S/2C8H10IN3.H2O4S/c2*9-7-3-1-6(2-4-7)5-12-8(10)11;1-5(2,3)4/h2*1-4H,5H2,(H4,10,11,12);(H2,1,2,3,4)
InChI Key:
LIPLTNALCZPDRJ-UHFFFAOYSA-N
SMILES:
NC(=N)NCc1ccc(cc1)I
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
647.951g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
648.259g/mol
Monoisotopic Mass:
647.951g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
212A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Benign paragangliomas: clinical presentation and treatment outcomes in 236 patients. | The Journal of clinical endocrinology and metabolism 20011101 |
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