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119822-25-2 | Propanediamide, N1,N3-bis(2-aminoethyl)-2-[(4-aminophenyl)methyl]-
CAS No: 119822-25-2 Catalog No: AG000PQ3 MDL No:
Product Description
Catalog Number:
AG000PQ3
Chemical Name:
Propanediamide, N1,N3-bis(2-aminoethyl)-2-[(4-aminophenyl)methyl]-
CAS Number:
119822-25-2
Molecular Formula:
C14H23N5O2
Molecular Weight:
293.3647
IUPAC Name:
N,N'-bis(2-aminoethyl)-2-[(4-aminophenyl)methyl]propanediamide
InChI:
InChI=1S/C14H23N5O2/c15-5-7-18-13(20)12(14(21)19-8-6-16)9-10-1-3-11(17)4-2-10/h1-4,12H,5-9,15-17H2,(H,18,20)(H,19,21)
InChI Key:
KWIYNTVSHJGIKG-UHFFFAOYSA-N
SMILES:
NCCNC(=O)C(C(=O)NCCN)Cc1ccc(cc1)N
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.185g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
293.371g/mol
Monoisotopic Mass:
293.185g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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