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1-Piperidinecarboxylicacid, 4-(4-chlorophenyl)-4-hydroxy-, ethyl ester structure
1-Piperidinecarboxylicacid, 4-(4-chlorophenyl)-4-hydroxy-, ethyl ester structure

1-Piperidinecarboxylicacid, 4-(4-chlorophenyl)-4-hydroxy-, ethyl ester

Iupac Name:2-(4,5-dichlorooctyl)-1,2-thiazol-3-one
CAS No.:146345-63-3
Molecular Weight:282.223
1. Names and Identifiers
1.1 Name
1-Piperidinecarboxylicacid, 4-(4-chlorophenyl)-4-hydroxy-, ethyl ester
1.2 Synonyms

1-piperidinecarboxylic acid, 4-(4-chlorophenyl)-4-hydroxy-, ethyl ester 1-Piperidinecarboxylicacid, 4-(p-chlorophenyl)-4-hydroxy-, ethyl ester (8CI) 4-(p-chlorophenyl)-4-hydroxy-1-piperidinecarboxylic acid ethyl ester 4-(p-chlorophenyl)-n-(ethoxycarbonyl)-4-piperidinol AC1L3JAU AC1Q65H1 acm23482339 CURANEYLIZSJBL-UHFFFAOYSA-N DTXSID70178048 einecs 245-684-3 ethyl 4-(4-chlorophenyl)-4-hydroxy-1-piperidinecarboxylate # ethyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate

1.3 CAS No.
146345-63-3
1.4 CID
54458227
1.5 EINECS(EC#)
277-438-6
1.6 Molecular Formula
C10H5CL6N5 (isomer)
1.7 Inchi
InChI=1S/C11H17Cl2NOS/c1-2-4-9(12)10(13)5-3-7-14-11(15)6-8-16-14/h6,8-10H,2-5,7H2,1H3
1.8 InChkey
WZSJCTXANRHVGN-UHFFFAOYSA-N
1.9 Canonical Smiles
CCCC(C(CCCN1C(=O)C=CS1)Cl)Cl
1.10 Isomers Smiles
CCCC(C(CCCN1C(=O)C=CS1)Cl)Cl
2. 3D Conformer
3. Properties
3.1 Density
1.12
3.2 Boiling Point
482.6°Cat760mmHg
3.3 Flash Point
54.9°C
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Computational chemical data
  • Molecular Weight:282.223g/mol
  • Molecular Formula:C10H5CL6N5
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.3
  • Exact Mass:281.0407907
  • Monoisotopic Mass:281.0407907
  • Complexity:260
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:45.6
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1