Basic information
- CAS
247565-44-2- Standard SMILES
N#CC(c1ccc(O)cc1)N1CCOCC1- InChIKey
ALBNAZLYPCNYDM-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- 2-(4-Hydroxyphenyl)-2-morpholinoacetonitrile
- IUPAC
- 2-(4-hydroxyphenyl)-2-morpholin-4-ylacetonitrile
- English name
- 2-(4-Hydroxyphenyl)-2-morpholinoacetonitrile
- Molecular formula
- C12H14N2O2
- Molecular weight
- 218.25
Names & synonyms
2-(4-hydroxyphenyl)-2-morpholinoacetonitrile247565-44-2DTXSID80384254RefChem:252420DTXCID503352782-(4-hydroxyphenyl)-2-(morpholin-4-yl)acetonitrile2-(4-hydroxyphenyl)-2-morpholin-4-ylacetonitrile(4-hydroxyphenyl)(morpholin-4-yl)acetonitrile(4-Hydroxy-phenyl)-morpholin-4-yl-acetonitrileMaybridge1_002177CBMicro_016836Cambridge id 5314481
Show more names
4-Morpholineacetonitrile, α-(4-hydroxyphenyl)-
Oprea1_026482Oprea1_186284MLS000123437SCHEMBL1021735CHEMBL1305481HMS547K21HMS2483F16CCG-5907
Database identifiers
- CAS
247565-44-2- PubChem CID
- 2801469
- DTXSID
DTXSID80384254- ChEMBL
CHEMBL1305481
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 364.3 · 364.3±42.0 °C(Predicted)
- Density
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- pka
- 9.62 · 9.62±0.26(Predicted)
Chemistry & industry
Suppliers4 total
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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