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886768-09-8 | 1-Boc-3-(3-Methoxyphenyl)piperazine
CAS No: 886768-09-8 Catalog No: AG00479U MDL No:MFCD06660459
Product Description
Catalog Number:
AG00479U
Chemical Name:
1-Boc-3-(3-Methoxyphenyl)piperazine
CAS Number:
886768-09-8
Molecular Formula:
C16H24N2O3
Molecular Weight:
292.3734
MDL Number:
MFCD06660459
IUPAC Name:
tert-butyl 3-(3-methoxyphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-9-8-17-14(11-18)12-6-5-7-13(10-12)20-4/h5-7,10,14,17H,8-9,11H2,1-4H3
InChI Key:
LDTFMMLHCDYQBK-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C1NCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.179g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.379g/mol
Monoisotopic Mass:
292.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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