1-Ethylpiperidin-3-one hydrochloride

HCID 433439
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Basic information

CAS
41361-28-8
Standard SMILES
CCN1CCCC(=O)C1
InChIKey
UDMMJJYIAHHNQA-UHFFFAOYSA-N
Molecular formula
C7H13NO
Average molar mass
127.18 g/mol
Monoisotopic mass
127.09971404

Names & identifiers

Preferred name
1-Ethylpiperidin-3-one hydrochloride
IUPAC
1-ethylpiperidin-3-one
English name
1-Ethyl-3-piperidone hydrochloride
Molecular formula
C7H14ClNO
Molecular weight
163.65

Names & synonyms

1-Ethylpiperidin-3-one HClEINECS 255-333-6NSC 3297003-Piperidinone, 1-ethyl-, hydrochlorideRefChem:432647255-333-61-Ethylpiperidin-3-one hydrochloride1-ethylpiperidin-3-one43152-93-81-Ethyl-3-piperidone1-Ethyl-3-piperidinone1-Ethyl-piperidin-3-one
Show more names
1-Ethyl-3-piperidoneHCl1-Ethyl-3-piperidone hydrochlorideN-Ethyl-3-piperidone hydrochloride1-Ethyl-3-piperidinone hydrochloride1-Ethylpiperidin-3-onehydrochloride97%1-Ethyl-3-piperidone hydrochloride,97%1-ETHYL-3-PIPERIDONE HYDROCHLORIDE 97%1-Ethylpiperidin-3-one hydrochloride 97%3-Piperidinone,1-ethyl-, hydrochloride (1:1)
3-Piperidinone, 1-ethyl-N-ethyl-3-piperidoneN-ethylpiperid-3-one1-Ethyl-3-piperidinone #SCHEMBL64615SCHEMBL3431239SCHEMBL3431240AKOS006230063

Database identifiers

CAS
41361-28-8
PubChem CID
433439
EC Number
255-333-6
Nikkaji
J108.768A

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Melting point
178 · 178-180 °C(lit.)
storage temp.
-20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility
DMSO (Slightly), Methanol (Sparingly), Water (Slightly)
form
Solid
color
Off-White to Light Brown
InChI
1S/C7H13NO.ClH/c1-2-8-5-3-4-7(9)6-8;/h2-6H2,1H3;1H

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)

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

Hazard information

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

Safety data

wgk
3
hs_code
2933399990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications

Uses1-Ethyl-3-piperidinone Hydrochloride used in preparation of Aminoimidazoles.

Uses1-Ethyl-3-piperidone hydrochloride may be used in chemical synthesis studies.

Suppliers14 total

上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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