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89053-70-3 | 1-Pyrrolidinecarboximidamide, N-[imino(phenylamino)methyl]-
CAS No: 89053-70-3 Catalog No: AG0041DQ MDL No:
Product Description
Catalog Number:
AG0041DQ
Chemical Name:
1-Pyrrolidinecarboximidamide, N-[imino(phenylamino)methyl]-
CAS Number:
89053-70-3
Molecular Formula:
C12H17N5
Molecular Weight:
231.2969
IUPAC Name:
N'-(N'-phenylcarbamimidoyl)pyrrolidine-1-carboximidamide
InChI:
InChI=1S/C12H17N5/c13-11(15-10-6-2-1-3-7-10)16-12(14)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2,(H4,13,14,15,16)
InChI Key:
GELHZWXEONQCKJ-UHFFFAOYSA-N
SMILES:
N=C(NC(=N)N1CCCC1)Nc1ccccc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.148g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.303g/mol
Monoisotopic Mass:
231.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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