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819075-29-1 | Urea, N-hexyl-N'-(2-piperazinylmethyl)-, diacetate
CAS No: 819075-29-1 Catalog No: AG004ZXM MDL No:
Product Description
Catalog Number:
AG004ZXM
Chemical Name:
Urea, N-hexyl-N'-(2-piperazinylmethyl)-, diacetate
CAS Number:
819075-29-1
Molecular Formula:
C16H34N4O5
Molecular Weight:
362.4650
IUPAC Name:
acetic acid;1-hexyl-3-(piperazin-2-ylmethyl)urea
InChI:
InChI=1S/C12H26N4O.2C2H4O2/c1-2-3-4-5-6-15-12(17)16-10-11-9-13-7-8-14-11;2*1-2(3)4/h11,13-14H,2-10H2,1H3,(H2,15,16,17);2*1H3,(H,3,4)
InChI Key:
LUDJNQGEHLQTRM-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.CCCCCCNC(=O)NCC1CNCCN1
Properties
Complexity:
242
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:
6
Isotope Atom Count:
0
Molecular Weight:
362.471g/mol
Monoisotopic Mass:
362.253g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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