Basic information
- CAS
25079-96-3- Standard SMILES
CC(=O)NCc1ccc(C)cc1- InChIKey
VSKJCTSEACBXRC-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- N-((4-methylphenyl)methyl)acetamide
- IUPAC
- N-[(4-methylphenyl)methyl]acetamide
- English name
- AcetaMide, N-[(4-Methylphenyl)Methyl]-
- Molecular formula
- C10H13NO
- Molecular weight
- 163.21632
Names & synonyms
25079-96-3N-[(4-methylphenyl)methyl]acetamideN-((4-METHYLPHENYL)METHYL)ACETAMIDEDTXSID20179767RefChem:359678DTXCID80102258N-(4-methylbenzyl)acetamideN-(p-methylbenzyl)acetamideSCHEMBL171709N-(4-methyl-benzyl)-acetamideSCHEMBL3751727VSKJCTSEACBXRC-UHFFFAOYSA-N
Show more names
N-[(4-Methylphenyl)Methyl] acetaMideN-[(4-methylphenyl)methyl]acetamide - [AC80270]
AKOS003863288GS-0457Acetamide, N-[(4-methylphenyl)methyl]-
Database identifiers
- CAS
25079-96-3- PubChem CID
- 32782
- DTXSID
DTXSID20179767- Nikkaji
- J579.819A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 110.5 · 110.5-111.5 °C
- Boiling point
- 347.1 · 347.1±21.0 °C(Predicted)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- pka
- 15.91 · 15.91±0.46(Predicted)
Chemistry & industry
Suppliers3 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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