Basic information
- CAS
23804-59-3- Standard SMILES
N#CC1(O)CCN(CCc2ccccc2)CC1- InChIKey
XIUVZQCJSZGEJF-UHFFFAOYSA-N- Molecular formula
- C14H18N2O
- Average molar mass
- 230.31 g/mol
- Monoisotopic mass
- 230.1419132
Names & identifiers
- Preferred name
- 4-Hydroxy-1-(2-phenylethyl)-4-piperidinecarbonitrile
- IUPAC
- 4-hydroxy-1-(2-phenylethyl)piperidine-4-carbonitrile
- English name
- 4-hydroxy-1-phenethylpiperidine-4-carbonitrile
- Molecular formula
- C14H18N2O
- Molecular weight
- 230.31
Names & synonyms
4-Hydroxy-1-phenethylpiperidine-4-carbonitrile23804-59-3BU9VSF1T3D4-Hydroxy-1-(2-phenylethyl)-4-piperidinecarbonitrileRefChem:1070736245-891-94-HYDROXY-1-(2-PHENYLETHYL)PIPERIDINE-4-CARBONITRILEISONIPECOTONITRILE, 4-HYDROXY-1-PHENETHYL-BRN 0477606EINECS 245-891-94-Hydroxy-1-phenethyl-4-piperidinecarbonitrileUNII-BU9VSF1T3D
Show more names
4-Hydroxy-1-phenethylisonipecotonitrile4-Piperidinecarbonitrile,4-hydroxy-1-(2-phenylethyl)-
5-22-05-00027 (Beilstein Handbook Reference)SCHEMBL27685545DTXSID30178504XIUVZQCJSZGEJF-UHFFFAOYSA-NAKOS000565553DB-024395NS00027487SR-01000358522
Database identifiers
- CAS
23804-59-3- PubChem CID
- 32100
- DTXSID
DTXSID30178504- UNII
- BU9VSF1T3D
- EC Number
- 245-891-9
- Nikkaji
- J242.683H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 93 ℃ · 93℃
- Boiling point
- 419.1 · 419.1±45.0 °C(Predicted)
- Density
- 1.14 · 1.14
- pka
- 11.01 · 11.01±0.20(Predicted)
- FDA UNII
- 9 VSF1T3D · BU9VSF1T3D
Chemistry & industry
Suppliers13 total
上海策嵘生物科技有限公司[email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
青岛君之道生物技术有限公司0532-87118899 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
张家界恒康生物药业有限公司13975184000 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
重庆卡兰医药有限公司[email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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