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1159824-10-8 | 4-Piperidinepropanoic acid, β-amino-1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester, hydrochloride (1:1)
CAS No: 1159824-10-8 Catalog No: AG000HC4 MDL No:MFCD09749835
Product Description
Catalog Number:
AG000HC4
Chemical Name:
4-Piperidinepropanoic acid, β-amino-1-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester, hydrochloride (1:1)
CAS Number:
1159824-10-8
Molecular Formula:
C15H29ClN2O4
Molecular Weight:
336.8548
MDL Number:
MFCD09749835
IUPAC Name:
tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C15H28N2O4.ClH/c1-5-20-13(18)10-12(16)11-6-8-17(9-7-11)14(19)21-15(2,3)4;/h11-12H,5-10,16H2,1-4H3;1H
InChI Key:
YCHHVBZJGIBZHT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C1CCN(CC1)C(=O)OC(C)(C)C)N.Cl
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.182g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.857g/mol
Monoisotopic Mass:
336.182g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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