Basic information
- CAS
104958-67-0- Standard SMILES
CCCCNC(=O)c1ccccc1C(=O)N1CCOCC1- InChIKey
WJWAPPPIOYFZEF-UHFFFAOYSA-N- Molecular formula
- C16H22N2O3
- Average molar mass
- 290.36 g/mol
- Monoisotopic mass
- 290.16304257
Names & identifiers
- Preferred name
- Benzamide, N-butyl-2-(4-morpholinylcarbonyl)-
- IUPAC
- N-butyl-2-(morpholine-4-carbonyl)benzamide
- English name
- Benzamide, N-butyl-2-(4-morpholinylcarbonyl)-
- Molecular formula
- C16H22N2O3
- Molecular weight
- 290.36
Names & synonyms
Benzamide, N-butyl-2-(4-morpholinylcarbonyl)-N-Butyl-2-(4-morpholinylcarbonyl)benzamideDTXSID3073769EC 407-730-2RefChem:117154DTXCID9032907407-730-2N-butyl-2-(morpholine-4-carbonyl)benzamide104958-67-0WJWAPPPIOYFZEF-UHFFFAOYSA-NNS00007839
Database identifiers
- CAS
104958-67-0- PubChem CID
- 175991
- DTXSID
DTXSID3073769- EC Number
- 407-730-2、680-544-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 502 · 502.0±45.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- pka
- 14.47 · 14.47±0.46(Predicted)
- EWG's Food Scores
- 1 · 1-2
- EPA Substance Registry System
- -2 · Benzamide, N-butyl-2-(4-morpholinylcarbonyl)- (104958-67-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319-H412
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36-43-52/53
- Safety Statements
- 24 · 24-26-37-61
- REACH Registrations
- Inactive
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
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
REACH registered substance: N-butyl-2-(4-morpholinylcarbonyl)benzamide (EC: 407-730-2)
Benzamide, N-butyl-2-(4-morpholinylcarbonyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Sens. 1 (100%)
Skin Sens. 1 (100%)
Eye irritation - category 2
Eye Irrit. 2
Safety data
- risk_code
- 36-43-52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24-26-37-61
- Hazard statements
- H317-H319-H412
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P501
Chemistry & industry
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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