Basic information
- CAS
7499-19-6- Standard SMILES
CC(Cc1ccccc1)C(N)=O- InChIKey
NEDLYQXZCPTKOD-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 2-Methyl-3-phenylpropanamide
- IUPAC
- 2-methyl-3-phenylpropanamide
- English name
- Benzenepropanamide, a-methyl-
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
2-methyl-3-phenylpropanamide7499-19-6DTXSID70324689RefChem:263316DTXCID90275806SCHEMBL9079SCHEMBL3104329SCHEMBL3171335SCHEMBL7260592SCHEMBL7370640SCHEMBL277227772-methyl-3-phenylpropionic amide
Show more names
Benzenepropanamide, α-methyl-Benzenepropanamide, a-methyl-2-METHYL-3-PHENYL-PROPIONAMIDEALPHA-METHYL-BETA-PHENYLPROPIONAMIDE
HMS1577O03NSC407544AKOS024274037NSC-407544ST002688
Database identifiers
- CAS
7499-19-6- PubChem CID
- 348285
- DTXSID
DTXSID70324689- EC Number
- 118-448-1
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 106 °C · 106 °C
- Boiling point
- 340.5 · 340.5±21.0 °C(Predicted)
- Density
- 1.043 · 1.043±0.06 g/cm3(Predicted)
- pka
- 16.45 · 16.45±0.50(Predicted)
- InChI
- InChI=1S/C10H13NO/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,11,12)
- InChIKey
- NEDLYQXZCPTKOD-UHFFFAOYSA-N
- SMILES
- C1(CC(C)C(N)=O)=CC=CC=C1
Chemistry & industry
Suppliers8 total
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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