|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
19
Total Number of Articles : 14
|
| PubChem |
2473
|
| Molecular Formula |
C14H20N2O2 |
| SMILES |
CC(C)(C)NCC(COC1=CC=CC=C1C#N)O |
| InChI |
InChI=1S/C14H20N2O2/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15/h4-7,12,16-17H,9-10H2,1-3H3 |
| synonyms |
- Bunitrolol
- 34915-68-9
- 2-(3-(tert-Butylamino)-2-hydroxypropoxy)benzonitrile
- Bunitrolol [INN]
- KO 1366
- KO-1366
- 2-[3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile
- (RS)-2-(3-(tert-Butylamino)-2-hydroxypropoxy)benzonitril
- F2613LO055
- Benzonitrile, 2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-
- Benzonitrile, 2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-
- Bunitrololum
- Bunitrololum [INN-Latin]
- BRN 2374567
- 2-Nitrilo-N-tert-butylphenoxypropanolamine
- UNII-F2613LO055
- o-(3-(tert-Butylamino)-2-hydroxypropoxy)benzonitrile
- 2-Propanol, 3-(tert-butylamino)-1-(m-cyanophenoxy)-
- BUNITROLOL [MI]
- BUNITROLOL [WHO-DD]
- SCHEMBL34720
- CHEMBL418134
- DTXSID2022701
- SCHEMBL10650914
- CHEBI:135012
- VCVQSRCYSKKPBA-UHFFFAOYSA-N
- BENZONITRILE, o-(3-(tert-BUTYLAMINO)-2-HYDROXYPROPOXY)-
- AKOS007930876
- NCGC00532503-01
- DA-06559
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| Properties |
| Property |
Value |
| MW |
248.32 g/mol |
| HBD |
2 |
| HBA |
4 |
| Rotatable Bond Count |
6 |
| Exact Mass |
248.152477885 g/mol |
| Monoisotopic Mass |
248.152477885 g/mol |
| Heavy Atom Count |
18 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
290 |
| xlogp |
1.9 |
| Topological Polar Surface Area |
65.3 |
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