Ethyl 1-methylpiperidine-4-carboxylate (HCID 11062856)

Names & identifiers

Preferred name: Ethyl 1-methylpiperidine-4-carboxylate
IUPAC: ethyl 1-methylpiperidine-4-carboxylate
English name: Ethyl 1-methyl-4-piperidinecarboxylate
Molecular formula: C9H17NO2
Molecular weight: 171.24

Names & synonyms

Ethyl 1-methylpiperidine-4-carboxylate24252-37-7DTXSID80453777RefChem:342078DTXCID70404596687-432-9Ethyl 1-methyl-4-piperidinecarboxylateMFCD00130015ETHYL N-METHYLISONIPECOTATE1-Methyl-piperidine-4-carboxylic acid ethyl esterEthyl 1-methyl Piperidine-4-carboxylateSCHEMBL446501

Show more names

Ethyl N-Methyl piperidine-4-carboxylateEthyl 1-methylpiperidine-4-carboxylate 97%Ethyl 1-Methylpiperidine-4-carboxylate, 97+%Ethyl 1-methylpiperidine-4-carboxylate, 96%,1-methyl-4-piperidinecarboxylic acid ethyl ester1-Methyl-piperidin-4-carboxylic acid ethyl ester

Ethyl1-methylpiperidine-4-carboxylateAB03667AC-22456DS-13280SY0090661-methyl-4-piperdine carboxylic acid ethyl esterethyl 1-methyl-piperidine-4-carboxylateN-Methyl ethyl isonipecotate

Database identifiers

CAS: 24252-37-7
PubChem CID: 11062856
DTXSID: DTXSID80453777
EC Number: 687-432-9
Nikkaji: J629.375A

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 151

Physicochemical properties

Boiling point: 94 · 94-95 °C(Press: 12 Torr)
Density: 0.963 g/mL · 0.963 g/mL at 25 °C
refractive index: 20 · n20/D1.450
Flash point: 87 ℃ · 87℃
storage temp.: Sealed in dry,Room Temperature
form: liquid
pka: 8.5 · 8.50±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: 1S/C9H17NO2/c1-3-12-9(11)8-4-6-10(2)7-5-8/h8H,3-7H2,1-2H3
InChIKey: JWXOOQCMGJBSML-UHFFFAOYSA-N
SMILES: CCOC(=O)C1CCN(C)CC1
CAS DataBase Reference: 24252 · 24252-37-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 37 · 37/38-41
Safety Statements: 26 · 26-36/37/39
RIDADR: 1993 · NA 1993 / PGIII
WGK Germany: 3 · 3
HS Code: 29333990 · 29333990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 29333990
risk_code: 37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 26-36/37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H318-H335
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesReactant for synthesis of:Piperidine derivatives as inhibitors of S. aureus and E. coli enoyl-ACP reductaseGABAA receptor agonistsWater-soluble DNA-binding subunits for analogues of cytotoxic antibiotic CC-1065 and their prodrugsTricyclic pharmaceuticals5-HT3 antagonists