Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate

HCID 104608

Basic information

CAS
53786-44-0
Standard SMILES
CCOC(=O)N1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1
InChIKey
GMDPPHXPURQLKC-UHFFFAOYSA-N
Molecular formula
C14H18ClN3O4
Average molar mass
327.76 g/mol
Monoisotopic mass
327.09858374

Names & identifiers

Preferred name
Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate
IUPAC
ethyl 4-(4-chloro-2-nitroanilino)piperidine-1-carboxylate
English name
ethyl 4-[(4-chloro-2-nitrophenyl)amino]piperidine-1-carboxylate
Molecular formula
C14H18ClN3O4
Molecular weight
327.76

Names & synonyms

Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylateethyl 4-[(4-chloro-2-nitrophenyl)amino]piperidine-1-carboxylateHVE5C4NUG8EINECS 258-774-2DTXSID00202067Ethyl 4-((4-chloro-2-nitrophenyl)amino)-1-piperidinecarboxylateethyl 4-[(4-chloro-2-nitrophenyl)amino]-1-piperidinecarboxylate1-Piperidinecarboxylic acid, 4-((4-chloro-2-nitrophenyl)amino)-, ethyl esterRefChem:138730DTXCID0012455853786-44-0ethyl 4-(4-chloro-2-nitroanilino)piperidine-1-carboxylate
Show more names
Domperidone impurity HETHYL 4-[(4-CHLORO-2-NITROPHENYL)AMINO]PIPERIDINE-1-CARBOXYLATE(WXG00904)4-[(4-Chloro-2-nitrophenyl)amino]-1-piperidinecarboxylic acid ethyl ester1-PIPERIDINECARBOXYLIC ACID, 4-[(4-CHLOR-2-NITROPHENYL)AMINO]-, ETHYL ESTER1-Piperidinecarboxylic acid, 4-[(4-chloro-2-nitrophenyl)amino]-, ethyl ester
Domperidone Impurity 11Domperidone Impurity 7UNII-HVE5C4NUG8SCHEMBL11026402DB-308009NS000328421-Carbethoxy-4-(2-nitro-4-chloroanilino)-piperidineethyl 4[(4-chloro-2-nitrophenyl)amino]-1-piperidinecarboxylate

Database identifiers

CAS
53786-44-0
PubChem CID
104608
DTXSID
DTXSID00202067
UNII
HVE5C4NUG8
EC Number
258-774-2
Nikkaji
J279.502G

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
87.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
22

Physicochemical properties

Boiling point
482.6 · 482.6±45.0 °C(Predicted)
Density
1.363 · 1.363±0.06 g/cm3(Predicted)
pka
0.2 · 0.20±0.20(Predicted)
FDA UNII
5 C4NUG8 · HVE5C4NUG8

Chemistry & industry

Suppliers31 total

上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]

Related reactions

11 records

Compound notes

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