Basic information
- CAS
93967-76-1- Standard SMILES
COC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1.Cl- InChIKey
DRULTGGYJWUCKF-ACMTZBLWSA-N- Molecular formula
- C12H16ClNO3
- Average molar mass
- 257.71 g/mol
- Monoisotopic mass
- 257.0818711
Names & identifiers
- Preferred name
- methyl (2S,4S)-4-phenoxypyrrolidine-2-carboxylate hydrochloride
- IUPAC
- methyl (2S,4S)-4-phenoxypyrrolidine-2-carboxylate;hydrochloride
- English name
- Methyl (2S,4S)-4-phenoxy-2-pyrrolidinecarboxylate(HCl)
- Molecular formula
- C12H16ClNO3
- Molecular weight
- 257.71
Names & synonyms
methyl (2S,4S)-4-phenoxypyrrolidine-2-carboxylate hydrochlorideL-Proline, 4-phenoxy-, methyl ester, hydrochloride, cis-RefChem:812216972-408-593967-76-1Methyl (2S,4S)-4-phenoxy-2-pyrrolidinecarboxylate hydrochloridemethyl (2S,4S)-4-phenoxypyrrolidine-2-carboxylate;hydrochlorideAKOS015848644G49855EN300-6503942Methyl (2S,4S)-4-phenoxy-2-pyrrolidinecarboxylatehydrochlorideL-Proline, 4-phenoxy-,methyl ester, hydrochloride, cis- (9CI)
Show more names
Methyl (2S,4S)-4-phenoxy-2-pyrrolidinecarboxylate(HCl)
Database identifiers
- CAS
93967-76-1- PubChem CID
- 45075583
- EC Number
- 972-408-5
Properties
Computed structural properties
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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