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852180-47-3 | 1-Boc-4-(4-Aminomethylphenyl)piperazine
CAS No: 852180-47-3 Catalog No: AG0032P0 MDL No:MFCD03791213
Product Description
Catalog Number:
AG0032P0
Chemical Name:
1-Boc-4-(4-Aminomethylphenyl)piperazine
CAS Number:
852180-47-3
Molecular Formula:
C16H25N3O2
Molecular Weight:
291.3886
MDL Number:
MFCD03791213
IUPAC Name:
tert-butyl 4-[4-(aminomethyl)phenyl]piperazine-1-carboxylate
InChI:
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)14-6-4-13(12-17)5-7-14/h4-7H,8-12,17H2,1-3H3
InChI Key:
TTXMFUXVXBAVIP-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)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:
291.195g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.395g/mol
Monoisotopic Mass:
291.195g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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