Ethyl 4-[(2-Amino-4-chlorophenyl)amino]piperidine-1-carboxylate - CAS 53786-45-1
Catalog: |
BB028348 |
Product Name: |
Ethyl 4-[(2-Amino-4-chlorophenyl)amino]piperidine-1-carboxylate |
CAS: |
53786-45-1 |
Synonyms: |
4-(2-amino-4-chloroanilino)-1-piperidinecarboxylic acid ethyl ester; ethyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate |
IUPAC Name: | ethyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate |
Description: | Ethyl 4-((2-Amino-4-chlorophenyl)-amino)piperidine-1-carboxylate can be used for bacterial genotoxicity and toxicity test for the rapid screening of chemicals. |
Molecular Weight: | 297.78 |
Molecular Formula: | C14H20ClN3O2 |
Canonical SMILES: | CCOC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)Cl)N |
InChI: | InChI=1S/C14H20ClN3O2/c1-2-20-14(19)18-7-5-11(6-8-18)17-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8,16H2,1H3 |
InChI Key: | PPCPQDDCMQRJLS-UHFFFAOYSA-N |
Boiling Point: | 475.6 °C at 760 mmHg |
Density: | 1.29 g/cm3 |
MDL: | MFCD03931057 |
LogP: | 3.54710 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-1175432-A | N-oxacyclyl-alkylpiperidine derivatives, process for their preparation, pharmaceutical products containing them, and their use | 19810620 |
EP-0068261-A1 | N-oxacyclyl-alkylpiperidine derivatives, their preparation, pharmaceutical preparations containing them and their use | 19810620 |
EP-0068261-B1 | N-oxacyclyl-alkylpiperidine derivatives, their preparation, pharmaceutical preparations containing them and their use | 19810620 |
HU-190989-B | Process for preparing dioxanyl-methyl-piperidine derivatives | 19810620 |
NZ-201006-A | N-oxacyclyl-alkylpiperidine derivatives and pharmaceutical compositions | 19810620 |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.1244046 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.1244046 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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Amines and Anilines
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