Basic information
- CAS
118972-97-7- Standard SMILES
COC(=O)N1CC(O)C1- InChIKey
PDCPSVRSNHMDJH-UHFFFAOYSA-N- Molecular formula
- C5H9NO3
- Average molar mass
- 131.13 g/mol
- Monoisotopic mass
- 131.05824315
Names & identifiers
- Preferred name
- Methyl 3-hydroxyazetidine-1-carboxylate
- IUPAC
- methyl 3-hydroxyazetidine-1-carboxylate
- English name
- Methyl3-hydroxyazetidine-1-carboxylate
- Molecular formula
- C5H9NO3
- Molecular weight
- 131.13
Names & synonyms
methyl 3-hydroxyazetidine-1-carboxylate118972-97-7RefChem:815506988-408-3MFCD180727271-Azetidinecarboxylic acid, 3-hydroxy-, methyl estermethyl3-hydroxyazetidine-1-carboxylateSCHEMBL14752967SCHEMBL18585920PDCPSVRSNHMDJH-UHFFFAOYSA-NTEA97297AKOS012406649
Show more names
methyl 3-hydroxyazetidine-1-carboxylate - [M28753]
SB50769AS-53832SY234035Methyl 3-hydroxy-1-azetidinecarboxylate #DB-143099CS-0049088P17177EN300-1703839
Database identifiers
- CAS
118972-97-7- PubChem CID
- 560293
- EC Number
- 988-408-3
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 222.2 · 222.2±33.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 14.16 · 14.16±0.20(Predicted)
- form
- liquid
- color
- Pale yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 271 · P271-P260-P280
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Applications
UsesMethyl 3-hydroxyazetidine-1-carboxylate is used as a reactant in the preparation of 3-oxo- and 3-ethylideneazetidine derivatives.
Suppliers10 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
南京协诺生物技术有限公司025-84112752 13805181430 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
南京鼎石生物技术有限公司13501719342 13501719342 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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