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13907-74-9 | Urea, 1,1'-(1,4-cyclohexylene)bis[3-methyl-, trans- (8CI)
CAS No: 13907-74-9 Catalog No: AG001A4T MDL No:
Product Description
Catalog Number:
AG001A4T
Chemical Name:
Urea, 1,1'-(1,4-cyclohexylene)bis[3-methyl-, trans- (8CI)
CAS Number:
13907-74-9
Molecular Formula:
C10H20N4O2
Molecular Weight:
228.2914
IUPAC Name:
1-methyl-3-[4-(methylcarbamoylamino)cyclohexyl]urea
InChI:
InChI=1S/C10H20N4O2/c1-11-9(15)13-7-3-5-8(6-4-7)14-10(16)12-2/h7-8H,3-6H2,1-2H3,(H2,11,13,15)(H2,12,14,16)
InChI Key:
AVIOYRMXTIRJRV-UHFFFAOYSA-N
SMILES:
CNC(=O)NC1CCC(CC1)NC(=O)NC
NSC Number:
93200
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.159g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
228.296g/mol
Monoisotopic Mass:
228.159g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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