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157877-79-7 | Benzenemethanol, 4-amino-3,5-dichloro-α-[[(4-hydroxycyclohexyl)amino]methyl]-
CAS No: 157877-79-7 Catalog No: AG001PRM MDL No:
Product Description
Catalog Number:
AG001PRM
Chemical Name:
Benzenemethanol, 4-amino-3,5-dichloro-α-[[(4-hydroxycyclohexyl)amino]methyl]-
CAS Number:
157877-79-7
Molecular Formula:
C14H20Cl2N2O2
Molecular Weight:
319.2268
IUPAC Name:
4-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]cyclohexan-1-ol
InChI:
InChI=1S/C14H20Cl2N2O2/c15-11-5-8(6-12(16)14(11)17)13(20)7-18-9-1-3-10(19)4-2-9/h5-6,9-10,13,18-20H,1-4,7,17H2
InChI Key:
DKFLKXDTRUWFDL-UHFFFAOYSA-N
SMILES:
OC(c1cc(Cl)c(c(c1)Cl)N)CNC1CCC(CC1)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
319.226g/mol
Monoisotopic Mass:
318.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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