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819075-54-2 | Urea, N'-(2-piperazinylmethyl)-N,N-dipropyl-, diacetate
CAS No: 819075-54-2 Catalog No: AG008L9W MDL No:
Product Description
Catalog Number:
AG008L9W
Chemical Name:
Urea, N'-(2-piperazinylmethyl)-N,N-dipropyl-, diacetate
CAS Number:
819075-54-2
Molecular Formula:
C16H34N4O5
Molecular Weight:
362.4650
IUPAC Name:
acetic acid;3-(piperazin-2-ylmethyl)-1,1-dipropylurea
InChI:
InChI=1S/C12H26N4O.2C2H4O2/c1-3-7-16(8-4-2)12(17)15-10-11-9-13-5-6-14-11;2*1-2(3)4/h11,13-14H,3-10H2,1-2H3,(H,15,17);2*1H3,(H,3,4)
InChI Key:
RTFVIEOKTYLORT-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.CCCN(C(=O)NCC1NCCNC1)CCC
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.253g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
362.471g/mol
Monoisotopic Mass:
362.253g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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