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361345-40-6 | 1-Boc-4-(3-Aminobenzyl)piperazine
CAS No: 361345-40-6 Catalog No: AG0032OZ MDL No:MFCD06658979
Product Description
Catalog Number:
AG0032OZ
Chemical Name:
1-Boc-4-(3-Aminobenzyl)piperazine
CAS Number:
361345-40-6
Molecular Formula:
C16H25N3O2
Molecular Weight:
291.3886
MDL Number:
MFCD06658979
IUPAC Name:
tert-butyl 4-[(3-aminophenyl)methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-9-7-18(8-10-19)12-13-5-4-6-14(17)11-13/h4-6,11H,7-10,12,17H2,1-3H3
InChI Key:
VKSINZNBWVJILC-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)CN1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
346
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:
1.7
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