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141975-67-9 | 1,4-Piperazinedipropanamide, N1,N4-bis[2-[(2-aminoethyl)amino]ethyl]-
CAS No: 141975-67-9 Catalog No: AG001HH0 MDL No:
Product Description
Catalog Number:
AG001HH0
Chemical Name:
1,4-Piperazinedipropanamide, N1,N4-bis[2-[(2-aminoethyl)amino]ethyl]-
CAS Number:
141975-67-9
Molecular Formula:
C18H40N8O2
Molecular Weight:
400.5626
IUPAC Name:
N-[2-(2-aminoethylamino)ethyl]-3-[4-[3-[2-(2-aminoethylamino)ethylamino]-3-oxopropyl]piperazin-1-yl]propanamide
InChI:
InChI=1S/C18H40N8O2/c19-3-5-21-7-9-23-17(27)1-11-25-13-15-26(16-14-25)12-2-18(28)24-10-8-22-6-4-20/h21-22H,1-16,19-20H2,(H,23,27)(H,24,28)
InChI Key:
PHCVXIYJLCQWRJ-UHFFFAOYSA-N
SMILES:
NCCNCCNC(=O)CCN1CCN(CC1)CCC(=O)NCCNCCN
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.327g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
400.572g/mol
Monoisotopic Mass:
400.327g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
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