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Home > Imidazoles > 1221342-35-3
1221342-35-3 | {2-methanesulfonyl-1-[3-(morpholin-4-yl)propyl]-1H-imidazol-5-yl}methanol
CAS No: 1221342-35-3 Catalog No: AG00JTW6 MDL No:MFCD14707591
Product Description
Catalog Number:
AG00JTW6
Chemical Name:
{2-methanesulfonyl-1-[3-(morpholin-4-yl)propyl]-1H-imidazol-5-yl}methanol
CAS Number:
1221342-35-3
Molecular Formula:
C12H21N3O4S
Molecular Weight:
303.3778
MDL Number:
MFCD14707591
IUPAC Name:
[2-methylsulfonyl-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]methanol
InChI:
InChI=1S/C12H21N3O4S/c1-20(17,18)12-13-9-11(10-16)15(12)4-2-3-14-5-7-19-8-6-14/h9,16H,2-8,10H2,1H3
InChI Key:
BYVRSLJJSZERBH-UHFFFAOYSA-N
SMILES:
OCc1cnc(n1CCCN1CCOCC1)S(=O)(=O)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.125g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.377g/mol
Monoisotopic Mass:
303.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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