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178312-58-8 | 1-Piperazinecarboxylic acid, 4-(3-azetidinyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 178312-58-8 Catalog No: AG0025X3 MDL No:MFCD17169879
Product Description
Catalog Number:
AG0025X3
Chemical Name:
1-Piperazinecarboxylic acid, 4-(3-azetidinyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
178312-58-8
Molecular Formula:
C12H24ClN3O2
Molecular Weight:
277.7909
MDL Number:
MFCD17169879
IUPAC Name:
tert-butyl 4-(azetidin-3-yl)piperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C12H23N3O2.ClH/c1-12(2,3)17-11(16)15-6-4-14(5-7-15)10-8-13-9-10;/h10,13H,4-9H2,1-3H3;1H
InChI Key:
GYWVYUMNHDRQEC-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)C1CNC1)OC(C)(C)C.Cl
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.156g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.793g/mol
Monoisotopic Mass:
277.156g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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