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866782-01-6 | 4-Morpholineethanamine,b-(2-chlorophenyl)-
CAS No: 866782-01-6 Catalog No: AG004TCZ MDL No:MFCD01631948
Product Description
Catalog Number:
AG004TCZ
Chemical Name:
4-Morpholineethanamine,b-(2-chlorophenyl)-
CAS Number:
866782-01-6
Molecular Formula:
C12H17ClN2O
Molecular Weight:
240.7292
MDL Number:
MFCD01631948
IUPAC Name:
2-(2-chlorophenyl)-2-morpholin-4-ylethanamine
InChI:
InChI=1S/C12H17ClN2O/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2
InChI Key:
OJHPTRVTZGOWAO-UHFFFAOYSA-N
SMILES:
NCC(c1ccccc1Cl)N1CCOCC1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.731g/mol
Monoisotopic Mass:
240.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors. | Bioorganic & medicinal chemistry letters 20060315 |
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