N-(1-phenylethyl)formamide
Completing data — refresh the page later to see the latest
Basic information
- CAS
6948-01-2- Standard SMILES
CC(NC=O)c1ccccc1- InChIKey
CDHCCWRMWKZBGE-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- N-(1-phenylethyl)formamide
- IUPAC
- N-(1-phenylethyl)formamide
- English name
- N-(1-phenylethyl)formamide
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
N-(1-Phenylethyl)formamide6948-01-2EINECS 230-112-7NSC 55889RefChem:823664230-112-7N-formyl-1-phenylethylamineFormamide, N-(1-phenylethyl)-N-(.alpha.-Methylbenzyl)-formamideMFCD000210351-PhenylethylformamideN-(alpha-Methylbenzyl)formamide
Show more names
N-(α-Methylbenzyl)formamideN-Formyl-α-phenylethylamineN-(ALPHA-METHYLBENZYL)-FORMAMIDE
NSC55889starbld00296271-Phenylethylformamide #N-(phenylethyl)carboxamideSCHEMBL834442N-(1-phenyl-ethyl)-formamideN-Formyl-alpha-phenylethylamineSCHEMBL1911373
Database identifiers
- CAS
6948-01-2- PubChem CID
- 97904
- DTXSID
DTXSID101343793- EC Number
- 230-112-7
- Nikkaji
- J265.983B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 48.5 °C · 48.5 °C
- Boiling point
- 140 · 140-143 °C(Press: 3 Torr)
- Density
- 1.024 · 1.024±0.06 g/cm3(Predicted)
- pka
- 15.51 · 15.51±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-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)
Aggregated GHS information provided per 39 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 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H302-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
4 records
Compound notes
Loading…