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1018544-60-9 | 1-Piperazinecarboxylic acid, 4-[2-amino-1-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 1018544-60-9 Catalog No: AG0005QU MDL No:
Product Description
Catalog Number:
AG0005QU
Chemical Name:
1-Piperazinecarboxylic acid, 4-[2-amino-1-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1018544-60-9
Molecular Formula:
C17H26BrN3O2
Molecular Weight:
384.3112
IUPAC Name:
tert-butyl 4-[2-amino-1-(4-bromophenyl)ethyl]piperazine-1-carboxylate
InChI:
InChI=1S/C17H26BrN3O2/c1-17(2,3)23-16(22)21-10-8-20(9-11-21)15(12-19)13-4-6-14(18)7-5-13/h4-7,15H,8-12,19H2,1-3H3
InChI Key:
JMFUAWTWLKXIEF-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(cc1)Br)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.318g/mol
Monoisotopic Mass:
383.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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