Basic information
- CAS
94193-78-9- Standard SMILES
O=C(CCl)N[C@H](CO)Cc1ccccc1- InChIKey
RAOHWQJCNBTFLA-JTQLQIEISA-N- Molecular formula
- C11H14ClNO2
- Average molar mass
- 227.69 g/mol
- Monoisotopic mass
- 227.0713064
Names & identifiers
- Preferred name
- 2-chloro-N-((2S)-1-hydroxy-3-phenylpropan-2-yl)acetamide
- IUPAC
- 2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
- English name
- Acetamide, 2-chloro-N-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-
- Molecular formula
- C11H14ClNO2
- Molecular weight
- 227.69
Names & synonyms
94193-78-92-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide2-chloro-N-((2S)-1-hydroxy-3-phenylpropan-2-yl)acetamideRefChem:469860877-532-2Acetamide, 2-chloro-N-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-(S)-2-Chloro-N-(1-hydroxy-3-phenylpropan-2-yl)acetamidechloroacetyl-phenylalaninolSCHEMBL1177696EN300-298463Z1946914707
Database identifiers
- CAS
94193-78-9- PubChem CID
- 10728024
- EC Number
- 877-532-2
- Nikkaji
- J1.420.201C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 462.5 · 462.5±45.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 13.41 · 13.41±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H315-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H302 (100%): 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)
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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H302-H315-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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