3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)

HCID 107315
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
4644-61-5
Standard SMILES
CCOC(=O)C1CNCCC1=O.Cl
InChIKey
RTYXWLMQWSFXNI-UHFFFAOYSA-N
Molecular formula
C8H14ClNO3
Average molar mass
207.65 g/mol
Monoisotopic mass
207.066221

Names & identifiers

Preferred name
3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochloride (1:1)
IUPAC
ethyl 4-oxopiperidine-3-carboxylate;hydrochloride
English name
Ethyl 4-piperidone-3-carboxylate hydrochloride
Molecular formula
C8H14ClNO3
Molecular weight
207.65

Names & synonyms

4644-61-5DTXSID90276035RefChem:1068522DTXCID402273903-PIPERIDINECARBOXYLIC ACID, 4-OXO-, ETHYL ESTER, HYDROCHLORIDE (1:1)225-073-8Ethyl 4-oxopiperidine-3-carboxylateETHYL 4-PIPERIDONE-3-CARBOXYLATE HYDROCHLORIDEethyl 4-oxopiperidine-3-carboxylate hydrochlorideETHYL 4-OXO-3-PIPERIDINECARBOXYLATE HYDROCHLORIDE3-Carbethoxy-4-piperidone hydrochlorideMFCD00043267
Show more names
3-Carboethoxy-4-piperidone hydrochloride~Ethyl 4-oxo-piperidine-3-carboxylate hydrochlorideEthylesterHClTIMTEC-BB SBB003473LABOTEST-BB LT00455216(+/-)4-oxo-NipecoticacidEthyl 4-piperidoe-3-carboxylate3-Ethoxycarbonyl-4-piperidinoneEthyl-4-piperidone-3-carboxylateHCl
ethyl 4-oxopiperidine-3-carboxylate;hydrochlorideETHYL 4-PIPERIDONE-3-CARBOXYLATE HCL3-CARBETHOXY-4-PIPERIDONE HCl3-Ethoxycarbonyl-4-piperidone Hydrochloride3-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, hydrochlorideEINECS 225-073-8ethyl 4-oxo-3-piperidinecarboxylate HClethyl 4-oxo-3-piperidine carboxylate hydrochloride

Database identifiers

CAS
4644-61-5
PubChem CID
107315
EC Number
225-073-8

Properties

Computed structural properties

Topological polar surface area
55.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
13

Physicochemical properties

Melting point
169 · 169-175 °C
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Water Solubility
Soluble in water
form
powder to crystal
color
White to Brown
BRN
3711279 · 3711279

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code
29333990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
37/39-26

Chemistry & industry

Applications

UsesEthyl 4-piperidone-3-carboxylate, HCl

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]

Related reactions

13 records
New reaction record

Compound notes

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