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1341382-38-4 | 2-[(4-aminocyclohexyl)oxy]-1-(pyrrolidin-1-yl)ethan-1-one
CAS No: 1341382-38-4 Catalog No: AG01AUQ9 MDL No:MFCD17220474
Product Description
Catalog Number:
AG01AUQ9
Chemical Name:
2-[(4-aminocyclohexyl)oxy]-1-(pyrrolidin-1-yl)ethan-1-one
CAS Number:
1341382-38-4
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD17220474
IUPAC Name:
2-(4-aminocyclohexyl)oxy-1-pyrrolidin-1-ylethanone
InChI:
InChI=1S/C12H22N2O2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h10-11H,1-9,13H2
InChI Key:
QVCINACMRQKDFC-UHFFFAOYSA-N
SMILES:
NC1CCC(CC1)OCC(=O)N1CCCC1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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