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886770-41-8 | 1-Piperazinecarboxylicacid, 3-[1,1'-biphenyl]-4-yl-, 1,1-dimethylethyl ester
CAS No: 886770-41-8 Catalog No: AG00479T MDL No:MFCD07021283
Product Description
Catalog Number:
AG00479T
Chemical Name:
1-Piperazinecarboxylicacid, 3-[1,1'-biphenyl]-4-yl-, 1,1-dimethylethyl ester
CAS Number:
886770-41-8
Molecular Formula:
C21H26N2O2
Molecular Weight:
338.4433
MDL Number:
MFCD07021283
IUPAC Name:
tert-butyl 3-(4-phenylphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C21H26N2O2/c1-21(2,3)25-20(24)23-14-13-22-19(15-23)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,19,22H,13-15H2,1-3H3
InChI Key:
YXYOHCYZPXGDRV-UHFFFAOYSA-N
SMILES:
O=C(N1CCNC(C1)c1ccc(cc1)c1ccccc1)OC(C)(C)C
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.199g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.451g/mol
Monoisotopic Mass:
338.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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