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1159826-58-0 | Carbamic acid, N-[2-(4-piperidinyl)ethyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1159826-58-0 Catalog No: AG000HCM MDL No:MFCD09800412
Product Description
Catalog Number:
AG000HCM
Chemical Name:
Carbamic acid, N-[2-(4-piperidinyl)ethyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1159826-58-0
Molecular Formula:
C12H25ClN2O2
Molecular Weight:
264.7921
MDL Number:
MFCD09800412
IUPAC Name:
tert-butyl N-(2-piperidin-4-ylethyl)carbamate;hydrochloride
InChI:
InChI=1S/C12H24N2O2.ClH/c1-12(2,3)16-11(15)14-9-6-10-4-7-13-8-5-10;/h10,13H,4-9H2,1-3H3,(H,14,15);1H
InChI Key:
FZEXNEXCLCANCH-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCC1CCNCC1.Cl
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.16g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.794g/mol
Monoisotopic Mass:
264.16g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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