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Home > Bromides > 1197294-80-6
1197294-80-6 | 1-Piperazinecarboxylic acid, 4-(4-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 1197294-80-6 Catalog No: AG000PK3 MDL No:MFCD13195778
Product Description
Catalog Number:
AG000PK3
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
1197294-80-6
Molecular Formula:
C14H20BrN3O2
Molecular Weight:
342.2315
MDL Number:
MFCD13195778
IUPAC Name:
tert-butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-10-11(15)4-5-16-12/h4-5,10H,6-9H2,1-3H3
InChI Key:
WVPSXULRTJKBMJ-UHFFFAOYSA-N
SMILES:
Brc1ccnc(c1)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.237g/mol
Monoisotopic Mass:
341.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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