Home Carboxys 1-Piperidinecarboxylicacid, 4-isothiocyanato-, ethyl ester

1-Piperidinecarboxylicacid, 4-isothiocyanato-, ethyl ester

CAS No.:
73733-70-7
Catalog Number:
AG005XX2
Molecular Formula:
C9H14N2O2S
Molecular Weight:
214.2847
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG005XX2
Chemical Name:
1-Piperidinecarboxylicacid, 4-isothiocyanato-, ethyl ester
CAS Number:
73733-70-7
Molecular Formula:
C9H14N2O2S
Molecular Weight:
214.2847
MDL Number:
MFCD09946457
IUPAC Name:
ethyl 4-isothiocyanatopiperidine-1-carboxylate
InChI:
InChI=1S/C9H14N2O2S/c1-2-13-9(12)11-5-3-8(4-6-11)10-7-14/h8H,2-6H2,1H3
InChI Key:
LKKAWMNEPUOSKW-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(CC1)N=C=S
EC Number:
277-579-3
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.078g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.283g/mol
Monoisotopic Mass:
214.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties