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889956-81-4 | 1-Boc-3-(4-Hydroxyphenyl)piperazine
CAS No: 889956-81-4 Catalog No: AG0046AK MDL No:MFCD07021287
Product Description
Catalog Number:
AG0046AK
Chemical Name:
1-Boc-3-(4-Hydroxyphenyl)piperazine
CAS Number:
889956-81-4
Molecular Formula:
C15H22N2O3
Molecular Weight:
278.3468
MDL Number:
MFCD07021287
IUPAC Name:
tert-butyl 3-(4-hydroxyphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-9-8-16-13(10-17)11-4-6-12(18)7-5-11/h4-7,13,16,18H,8-10H2,1-3H3
InChI Key:
RIFREXHZVUBIOK-UHFFFAOYSA-N
SMILES:
O=C(N1CCNC(C1)c1ccc(cc1)O)OC(C)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.352g/mol
Monoisotopic Mass:
278.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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