Ethyl 3-pyrrolidinocrotonate

HCID 736204CAS 2723-42-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)/C=C(/C)N1CCCC1
InChIKey
MSOQKPXSIHLODG-HJWRWDBZSA-N
Molecular formula
C10H17NO2
Average molar mass
183.25 g/mol
Monoisotopic mass
183.12592878

Names & identifiers

Preferred name
Ethyl 3-pyrrolidinocrotonate
IUPAC
ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoate
English name
(Z)-ethyl 3-(pyrrolidin-1-yl)but-2-enoate
Molecular formula
C10H17NO2
Molecular weight
183.25

Names & synonyms

ETHYL 3-PYRROLIDINOCROTONATERefChem:595084665-094-3(Z)-ETHYL 3-(PYRROLIDIN-1-YL)BUT-2-ENOATE70526-06-6ethyl (Z)-3-pyrrolidin-1-ylbut-2-enoateMFCD02081922ethyl (2Z)-3-(pyrrolidin-1-yl)but-2-enoateethyl (2Z)-3-(1-pyrrolidinyl)-2-butenoate(Z)-ethyl3-(pyrrolidin-1-yl)but-2-enoateethyl (Z)-3-(pyrrolidin-1-yl)but-2-enoateU5WGG7CA8S
Show more names
2-Butenoic acid, 3-(1-pyrrolidinyl)-, ethyl ester, (2Z)-
ethyl beta-pyrrolidinocrotonateSCHEMBL535867DTXSID40352959MSOQKPXSIHLODG-HJWRWDBZSA-NAKOS005075862ethyl (2Z)-3-pyrrolidinylbut-2-enoateDB-074315CS-0151932

Database identifiers

CAS
2723-42-4、70526-06-6
PubChem CID
736204
DTXSID
DTXSID40352959
UNII
U5WGG7CA8S
EC Number
665-094-3
Nikkaji
J1.666.005A

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13

Physicochemical properties

Boiling point
263.1 · 263.1±19.0 °C(Predicted)
Density
1.036 · 1.036±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
6.56 · 6.56±0.20(Predicted)
HazardClass
IRRITANT
HS Code
2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

hs_code
2933998090
hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers17 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]

Related reactions

5 records
New reaction record

Linked notes

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