Basic information
- CAS
23974-15-4- Standard SMILES
CC(=O)NCc1ccncc1- InChIKey
MZCVTBJXTMEQLJ-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931295
Names & identifiers
- Preferred name
- N-(4-Pyridinylmethyl)acetamide
- IUPAC
- N-(pyridin-4-ylmethyl)acetamide
- English name
- 4-Acetylaminomethyl pyridine
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
23974-15-4N-(4-Pyridinylmethyl)acetamiden-(pyridin-4-ylmethyl)acetamideN-Pyridin-4-ylmethyl-acetamideN-(4-pyridylmethyl)acetamide4-AcetylaminomethylpyridineN-[(pyridin-4-yl)methyl]acetamide4-(Acetamidomethyl)pyridine4-Acetylaminomethyl pyridineNSC152133Oprea1_206047SCHEMBL48578
Show more names
Acetamide, N-(4-pyridinylmethyl)-
SCHEMBL429503CHEMBL5289976N-(4-pyridinylmethyl)-acetamideDTXSID60302618N-(4-Pyridinylmethyl)acetamide #AKOS003857501FS-2018NSC-152133
Database identifiers
- CAS
23974-15-4- PubChem CID
- 289830
- DTXSID
DTXSID60302618- ChEMBL
CHEMBL5289976- Nikkaji
- J2.417.847A
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 68 · 68-70 °C
- Boiling point
- 379.2 · 379.2±25.0 °C(Predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- pka
- 15.01 · 15.01±0.46(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS02
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H226
- Precautionary statements
- 501 · P501-P261-P240-P210-P233-P243-P241-P242-P271-P280-P370+P378-P303+P361+P353-P304+P340+P312-P305+P351+P338+P310-P403+P233-P403+P235-P405
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS02
- hazard_class
- IRRITANT
- Hazard statements
- H318-H335-H226
- Precautionary statements
- P501-P261-P240-P210-P233-P243-P241-P242-P271-P280-P370+P378-P303+P361+P353-P304+P340+P312-P305+P351+P338+P310-P403+P233-P403+P235-P405
Chemistry & industry
Applications
UsesN-(Pyridin-4-ylmethyl)acetamide is a useful chemical compound in exploring the hydrogen-bond preference of N-H moieites.
Suppliers4 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海常葳实业发展有限公司13262956501 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
12 records
Compound notes
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