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157303-88-3 | 1,2-Ethanediamine, N1,N1,N2-trimethyl-N2-[2-[[(1R)-1-phenyl-2-(1-piperidinyl)ethyl]amino]ethyl]-
CAS No: 157303-88-3 Catalog No: AG001PCR MDL No:
Product Description
Catalog Number:
AG001PCR
Chemical Name:
1,2-Ethanediamine, N1,N1,N2-trimethyl-N2-[2-[[(1R)-1-phenyl-2-(1-piperidinyl)ethyl]amino]ethyl]-
CAS Number:
157303-88-3
Molecular Formula:
C20H36N4
Molecular Weight:
332.5266
IUPAC Name:
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]ethane-1,2-diamine
InChI:
InChI=1S/C20H36N4/c1-22(2)16-17-23(3)15-12-21-20(19-10-6-4-7-11-19)18-24-13-8-5-9-14-24/h4,6-7,10-11,20-21H,5,8-9,12-18H2,1-3H3/t20-/m0/s1
InChI Key:
YZWDMCWAEGPHRJ-FQEVSTJZSA-N
SMILES:
CN(CCN(C)C)CCN[C@H](c1ccccc1)CN1CCCCC1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
332.294g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.536g/mol
Monoisotopic Mass:
332.294g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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