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1246532-96-6 | 1-Piperazinecarboxylic acid, 4-(4-amino-3-methoxyphenyl)-, 1,1-dimethylethyl ester
CAS No: 1246532-96-6 Catalog No: AG000MIE MDL No:MFCD22192405
Product Description
Catalog Number:
AG000MIE
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-amino-3-methoxyphenyl)-, 1,1-dimethylethyl ester
CAS Number:
1246532-96-6
Molecular Formula:
C16H25N3O3
Molecular Weight:
307.3880
MDL Number:
MFCD22192405
IUPAC Name:
tert-butyl 4-(4-amino-3-methoxyphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-9-7-18(8-10-19)12-5-6-13(17)14(11-12)21-4/h5-6,11H,7-10,17H2,1-4H3
InChI Key:
RADGPXZWMLVDDP-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.19g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.394g/mol
Monoisotopic Mass:
307.19g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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