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1086398-32-4 | 4-(3-N-Cbz-Amino-2-hydroxy-propyl)-1-Boc-piperazine
CAS No: 1086398-32-4 Catalog No: AG01F8NX MDL No:
Product Description
Catalog Number:
AG01F8NX
Chemical Name:
4-(3-N-Cbz-Amino-2-hydroxy-propyl)-1-Boc-piperazine
CAS Number:
1086398-32-4
Molecular Formula:
C20H31N3O5
Molecular Weight:
393.4772
IUPAC Name:
tert-butyl 4-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]piperazine-1-carboxylate
InChI:
InChI=1S/C20H31N3O5/c1-20(2,3)28-19(26)23-11-9-22(10-12-23)14-17(24)13-21-18(25)27-15-16-7-5-4-6-8-16/h4-8,17,24H,9-15H2,1-3H3,(H,21,25)
InChI Key:
QCAHFWOAJKCBGX-UHFFFAOYSA-N
SMILES:
OC(CN1CCN(CC1)C(=O)OC(C)(C)C)CNC(=O)OCc1ccccc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.226g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.484g/mol
Monoisotopic Mass:
393.226g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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