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1353954-59-2 | [1-(2-Amino-ethyl)-piperidin-3-yl]-benzyl-ethyl-amine
CAS No: 1353954-59-2 Catalog No: AG01F88X MDL No:
Product Description
Catalog Number:
AG01F88X
Chemical Name:
[1-(2-Amino-ethyl)-piperidin-3-yl]-benzyl-ethyl-amine
CAS Number:
1353954-59-2
Molecular Formula:
C16H27N3
Molecular Weight:
261.4057
IUPAC Name:
1-(2-aminoethyl)-N-benzyl-N-ethylpiperidin-3-amine
InChI:
InChI=1S/C16H27N3/c1-2-19(13-15-7-4-3-5-8-15)16-9-6-11-18(14-16)12-10-17/h3-5,7-8,16H,2,6,9-14,17H2,1H3
InChI Key:
IDLVWQTXVFCCKK-UHFFFAOYSA-N
SMILES:
NCCN1CCCC(C1)N(Cc1ccccc1)CC
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.22g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.413g/mol
Monoisotopic Mass:
261.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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