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93392-77-9 | Guanidine, N-cyano-N'-(2-iodoethyl)-N''-methyl-
CAS No: 93392-77-9 Catalog No: AG0063LD MDL No:
Product Description
Catalog Number:
AG0063LD
Chemical Name:
Guanidine, N-cyano-N'-(2-iodoethyl)-N''-methyl-
CAS Number:
93392-77-9
Molecular Formula:
C5H9IN4
Molecular Weight:
252.0562
IUPAC Name:
1-cyano-3-(2-iodoethyl)-2-methylguanidine
InChI:
InChI=1S/C5H9IN4/c1-8-5(10-4-7)9-3-2-6/h2-3H2,1H3,(H2,8,9,10)
InChI Key:
CLYRBADKYTXVTQ-UHFFFAOYSA-N
SMILES:
CN=C(NC#N)NCCI
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.987g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.059g/mol
Monoisotopic Mass:
251.987g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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