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178311-48-3 | 1-Azetidinecarboxylic acid, 3-(1-piperazinyl)-, 1,1-dimethylethyl ester
CAS No: 178311-48-3 Catalog No: AG0025XA MDL No:MFCD09264407
Product Description
Catalog Number:
AG0025XA
Chemical Name:
1-Azetidinecarboxylic acid, 3-(1-piperazinyl)-, 1,1-dimethylethyl ester
CAS Number:
178311-48-3
Molecular Formula:
C12H23N3O2
Molecular Weight:
241.3299
MDL Number:
MFCD09264407
IUPAC Name:
tert-butyl 3-piperazin-1-ylazetidine-1-carboxylate
InChI:
InChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)15-8-10(9-15)14-6-4-13-5-7-14/h10,13H,4-9H2,1-3H3
InChI Key:
KEQBTRKQDYXHTO-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)N1CCNCC1)OC(C)(C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.179g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.335g/mol
Monoisotopic Mass:
241.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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