CAS 439095-52-0 1-(4-Amino-phenyl)-piperidine-4-carboxylic acid ethyl ester (HCID 2764181)

Substructure search Find similar structures

Basic information

CAS: 439095-52-0
Standard SMILES: CCOC(=O)C1CCN(c2ccc(N)cc2)CC1
InChIKey: JXCDVJXPSHIHLP-UHFFFAOYSA-N
Molecular formula: C14H20N2O2
Average molar mass: 248.32 g/mol
Monoisotopic mass: 248.15247788

Names & identifiers

Preferred name: 1-(4-Amino-phenyl)-piperidine-4-carboxylic acid ethyl ester
IUPAC: ethyl 1-(4-aminophenyl)piperidine-4-carboxylate
English name: Ethyl 1-(4-aminophenyl)-4-piperidinecarboxylate
Molecular formula: C14H20N2O2
Molecular weight: 248.32

Names & synonyms

1-(4-amino-phenyl)-piperidine-4-carboxylic acid ethyl esterRefChem:424749692-340-7439095-52-0ethyl 1-(4-aminophenyl)-4-piperidinecarboxylateethyl 1-(4-aminophenyl)piperidine-4-carboxylateMFCD03425793Oprea1_613250SCHEMBL27543DTXSID20377342JXCDVJXPSHIHLP-UHFFFAOYSA-NAC6147

Show more names

4-Piperidinecarboxylic acid, 1-(4-aMinophenyl)-, ethyl ester1-(4-Aminophenyl)-4-(ethoxycarbonyl)piperidine, 4-[4-(Ethoxycarbonyl)piperidin-1-yl]aniline

SBB100448AKOS005070838SB43464DA-16924SY016490CS-04525676T-0212F079184

Database identifiers

CAS: 439095-52-0
PubChem CID: 2764181
DTXSID: DTXSID20377342
EC Number: 692-340-7

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 55.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 267

Physicochemical properties

Melting point: 40 · 40-42°
Boiling point: 410.7 · 410.7±40.0 °C(Predicted)
Density: 1.138 · 1.138±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 7.79 · 7.79±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332
Precautionary statements: 261 · P261-P271-P280
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.