Basic information
- CAS
40023-41-4- Standard SMILES
CC(Cl)C(=O)NC(C)c1ccccc1- InChIKey
QSGXOZATHLLEEQ-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO
- Average molar mass
- 211.69 g/mol
- Monoisotopic mass
- 211.0763918
Names & identifiers
- Preferred name
- 2-chloro-N-(1-phenylethyl)propanamide
- IUPAC
- 2-chloro-N-(1-phenylethyl)propanamide
- English name
- 2-CHLORO-N-(1-PHENYLETHYL)PROPANAMIDE
- Molecular formula
- C11H14ClNO
- Molecular weight
- 211.69
Names & synonyms
2-chloro-N-(1-phenylethyl)propanamide40023-41-4DTXSID80396630MSC75035QBA02341AKOS000263627AKOS016881295EN300-08446G38231SR-01000050415SR-01000050415-1Z56968548
Show more names
Propanamide, 2-chloro-N-(1-phenylethyl)-
Database identifiers
- CAS
40023-41-4- PubChem CID
- 3801710
- DTXSID
DTXSID80396630- EC Number
- 139-595-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 364.6 · 364.6±35.0 °C(Predicted)
- Density
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- pka
- 13.66 · 13.66±0.46(Predicted)
- 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
Suppliers2 total
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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