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1353962-95-4 | 2-[3-(Benzyl-methyl-amino)-pyrrolidin-1-yl]-ethanol
CAS No: 1353962-95-4 Catalog No: AG01F8RI MDL No:
Product Description
Catalog Number:
AG01F8RI
Chemical Name:
2-[3-(Benzyl-methyl-amino)-pyrrolidin-1-yl]-ethanol
CAS Number:
1353962-95-4
Molecular Formula:
C14H22N2O
Molecular Weight:
234.3373
IUPAC Name:
2-[3-[benzyl(methyl)amino]pyrrolidin-1-yl]ethanol
InChI:
InChI=1S/C14H22N2O/c1-15(11-13-5-3-2-4-6-13)14-7-8-16(12-14)9-10-17/h2-6,14,17H,7-12H2,1H3
InChI Key:
HIJOQLFZFMQBGJ-UHFFFAOYSA-N
SMILES:
OCCN1CCC(C1)N(Cc1ccccc1)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.343g/mol
Monoisotopic Mass:
234.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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