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887580-89-4 | 1-Azetidinecarboxylicacid, 3-[[3-(4-methyl-1-piperazinyl)propyl]amino]-, 1,1-dimethylethyl ester
CAS No: 887580-89-4 Catalog No: AG004CE8 MDL No:
Product Description
Catalog Number:
AG004CE8
Chemical Name:
1-Azetidinecarboxylicacid, 3-[[3-(4-methyl-1-piperazinyl)propyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
887580-89-4
Molecular Formula:
C16H32N4O2
Molecular Weight:
312.4509
IUPAC Name:
tert-butyl 3-[3-(4-methylpiperazin-1-yl)propylamino]azetidine-1-carboxylate
InChI:
InChI=1S/C16H32N4O2/c1-16(2,3)22-15(21)20-12-14(13-20)17-6-5-7-19-10-8-18(4)9-11-19/h14,17H,5-13H2,1-4H3
InChI Key:
IJEBAQYWLMBEGQ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCCNC1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.253g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.458g/mol
Monoisotopic Mass:
312.253g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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