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67227-00-3 | (2-(2-ISOINDOLYL)ETHYL)GUANIDINE
CAS No: 67227-00-3 Catalog No: AG005Q3E MDL No:
Product Description
Catalog Number:
AG005Q3E
Chemical Name:
(2-(2-ISOINDOLYL)ETHYL)GUANIDINE
CAS Number:
67227-00-3
Molecular Formula:
C11H14N4
Molecular Weight:
202.2557
IUPAC Name:
2-(2-isoindol-2-ylethyl)guanidine
InChI:
InChI=1S/C11H14N4/c12-11(13)14-5-6-15-7-9-3-1-2-4-10(9)8-15/h1-4,7-8H,5-6H2,(H4,12,13,14)
InChI Key:
PVHCELIAMKSOCX-UHFFFAOYSA-N
SMILES:
NC(=N)NCCn1cc2c(c1)cccc2
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.261g/mol
Monoisotopic Mass:
202.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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