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88745-07-7 | 3H-Pyrrole-3,3,4-tricarbonitrile, 5-amino-2-ethyl-1,2-dihydro-1-pentyl-
CAS No: 88745-07-7 Catalog No: AG004COO MDL No:
Product Description
Catalog Number:
AG004COO
Chemical Name:
3H-Pyrrole-3,3,4-tricarbonitrile, 5-amino-2-ethyl-1,2-dihydro-1-pentyl-
CAS Number:
88745-07-7
Molecular Formula:
C14H19N5
Molecular Weight:
257.3342
IUPAC Name:
5-amino-2-ethyl-1-pentyl-2H-pyrrole-3,3,4-tricarbonitrile
InChI:
InChI=1S/C14H19N5/c1-3-5-6-7-19-12(4-2)14(9-16,10-17)11(8-15)13(19)18/h12H,3-7,18H2,1-2H3
InChI Key:
MTYDSYLQOSOJIT-UHFFFAOYSA-N
SMILES:
CCCCCN1C(=C(C(C1CC)(C#N)C#N)C#N)N
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.164g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.341g/mol
Monoisotopic Mass:
257.164g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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