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740806-54-6 | 1-Piperazinecarboxylicacid, 2-[(phenylmethoxy)methyl]-, 1,1-dimethylethyl ester, (2R)-
CAS No: 740806-54-6 Catalog No: AG005HMA MDL No:
Product Description
Catalog Number:
AG005HMA
Chemical Name:
1-Piperazinecarboxylicacid, 2-[(phenylmethoxy)methyl]-, 1,1-dimethylethyl ester, (2R)-
CAS Number:
740806-54-6
Molecular Formula:
C17H26N2O3
Molecular Weight:
306.3999
IUPAC Name:
tert-butyl (2R)-2-(phenylmethoxymethyl)piperazine-1-carboxylate
InChI:
InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-10-9-18-11-15(19)13-21-12-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3/t15-/m1/s1
InChI Key:
JCGBMAPLKMXMKO-OAHLLOKOSA-N
SMILES:
O=C(N1CCNCC1COCc1ccccc1)OC(C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
306.194g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.406g/mol
Monoisotopic Mass:
306.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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