1-(3-Hydroxyazetidin-1-yl)ethan-1-one

HCID 11062345
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Basic information

CAS
118972-96-6
Standard SMILES
CC(=O)N1CC(O)C1
InChIKey
CSJAIVZAJZXEAW-UHFFFAOYSA-N
Molecular formula
C5H9NO2
Average molar mass
115.13 g/mol
Monoisotopic mass
115.06332853

Names & identifiers

Preferred name
1-(3-Hydroxyazetidin-1-yl)ethan-1-one
IUPAC
1-(3-hydroxyazetidin-1-yl)ethanone
English name
1-Acetyl-3-hydroxyazetidine
Molecular formula
C5H9NO2
Molecular weight
115.13

Names & synonyms

1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONERefChem:423887839-374-2118972-96-61-ACETYL-3-HYDROXYAZETIDINE1-(3-hydroxyazetidin-1-yl)ethanone3-Azetidinol, 1-acetyl-MFCD073666671-acetylazetidin-3-olSCHEMBL48889DTXSID60453699AB7308
Show more names
1-acetyl-3-Azetidinol1-(3-Hydroxyazetidin-1-yl)1-ethylacyl-3-hydroxyazacyclobutaneEthanone, 1-(3-hydroxy-1-azetidinyl)-1-Acetyl-3-hydroxyazetidine - [A15322]
AMY4420SCHEMBL3313542SCHEMBL9314697SCHEMBL185873441-(3-hydroxy-1-azetidinyl)ethanoneAKOS012406801-(3-Hydroxy-1-azetidinyl)-ethanoneAKOS012406801

Database identifiers

CAS
118972-96-6
PubChem CID
11062345
DTXSID
DTXSID60453699
EC Number
839-374-2

Properties

Computed structural properties

XLogP
-1.1
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Boiling point
275.9 · 275.9±33.0 °C(Predicted)
Density
1.275 · 1.275±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
13.31 · 13.31±0.20(Predicted)
Appearance
Off-white to light yellow Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers68 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

Related reactions

4 records
New reaction record

Compound notes

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