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852180-48-4 | 1-Piperazinecarboxylicacid, 4-[[3-[(methylamino)methyl]phenyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 852180-48-4 Catalog No: AG004VYK MDL No:
Product Description
Catalog Number:
AG004VYK
Chemical Name:
1-Piperazinecarboxylicacid, 4-[[3-[(methylamino)methyl]phenyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
852180-48-4
Molecular Formula:
C18H29N3O2
Molecular Weight:
319.4418
IUPAC Name:
tert-butyl 4-[[3-(methylaminomethyl)phenyl]methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C18H29N3O2/c1-18(2,3)23-17(22)21-10-8-20(9-11-21)14-16-7-5-6-15(12-16)13-19-4/h5-7,12,19H,8-11,13-14H2,1-4H3
InChI Key:
VYJXRUKUWZBKEL-UHFFFAOYSA-N
SMILES:
CNCc1cccc(c1)CN1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.226g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.449g/mol
Monoisotopic Mass:
319.226g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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