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114-86-3 | Imidodicarbonimidic diamide, N-(2-phenylethyl)-
CAS No: 114-86-3 Catalog No: AG000AA2 MDL No:MFCD00242966
Product Description
Catalog Number:
AG000AA2
Chemical Name:
Imidodicarbonimidic diamide, N-(2-phenylethyl)-
CAS Number:
114-86-3
Molecular Formula:
C10H15N5
Molecular Weight:
205.2596
MDL Number:
MFCD00242966
IUPAC Name:
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine
InChI:
InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
InChI Key:
ICFJFFQQTFMIBG-UHFFFAOYSA-N
SMILES:
N=C(NC(=N)N)NCCc1ccccc1
EC Number:
204-057-4
UNII:
DD5K7529CE
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.133g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.265g/mol
Monoisotopic Mass:
205.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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