Basic information
- CAS
40288-69-5- Standard SMILES
N#Cc1ccccc1NC(=O)c1ccccc1- InChIKey
IQAAKQSNMORTCT-UHFFFAOYSA-N- Molecular formula
- C14H10N2O
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.07931295
Names & identifiers
- Preferred name
- N-(2-Cyanophenyl)benzamide
- IUPAC
- N-(2-cyanophenyl)benzamide
- English name
- N-(2-cyanophenyl)benzamide
- Molecular formula
- C14H10N2O
- Molecular weight
- 222.24
Names & synonyms
N-(2-cyanophenyl)benzamide40288-69-5RefChem:360664NSC620120BENZAMIDE,N-(2-CYANOPHENYL)-Oprea1_552383N-(2-cyano-phenyl)-benzamideSCHEMBL1343798CHEMBL1985391IQAAKQSNMORTCT-UHFFFAOYSA-NDTXSID901311617MFCD00451472
Show more names
BENZAMIDE, N-(2-CYANOPHENYL)-
STK391380AKOS000185903NSC-620120NCI60_005951DB-209535CS-0305546ST50924301AE-641/02304054
Database identifiers
- CAS
40288-69-5- PubChem CID
- 359334
- DTXSID
DTXSID901311617- ChEMBL
CHEMBL1985391- Nikkaji
- J723.716B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 156 °C · 156 °C
- Boiling point
- 315.3 · 315.3±25.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.42 · 12.42±0.70(Predicted)
Chemistry & industry
Suppliers13 total
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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