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1381947-68-7 | 4-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, hydrochloride (1:1)
CAS No: 1381947-68-7 Catalog No: AG001886 MDL No:MFCD20527368
Product Description
Catalog Number:
AG001886
Chemical Name:
4-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, hydrochloride (1:1)
CAS Number:
1381947-68-7
Molecular Formula:
C12H23ClN2O4
Molecular Weight:
294.7750
MDL Number:
MFCD20527368
IUPAC Name:
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;hydrochloride
InChI:
InChI=1S/C12H22N2O4.ClH/c1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12;/h13H,5-8H2,1-4H3,(H,14,16);1H
InChI Key:
MPSXDHAILALMNW-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCNCC1)NC(=O)OC(C)(C)C.Cl
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.135g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
294.776g/mol
Monoisotopic Mass:
294.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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