Basic information
- CAS
4972-68-3- Standard SMILES
CN1CCC(O)(c2ccccc2)CC1- InChIKey
JVMCZMQYJIRKRV-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101416
Names & identifiers
- Preferred name
- 1-Methyl-4-phenylpiperidin-4-ol
- IUPAC
- 1-methyl-4-phenylpiperidin-4-ol
- English name
- 1-methyl-4-phenylpiperidin-4-ol
- Molecular formula
- C12H17NO
- Molecular weight
- 191.27
Names & synonyms
1-Methyl-4-phenylpiperidin-4-ol4972-68-31-methyl-4-phenyl-4-piperidinol4-piperidinol, 1-methyl-4-phenyl-EINECS 225-619-5DTXSID90197993RefChem:434404DTXCID50120484225-619-5InChI=1/C12H17NO/c1-13-9-7-12(14,8-10-13)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H1-Methyl-4-phenyl-piperidin-4-olMFCD00464382
Show more names
IK 4
4-Phenyl-1-methyl-4-piperidinolCBDivE_0104661-methyl-4-hydroxy-4-phenyl-piperidineDB9LV2UXW2Cambridge id 5238810TimTec1_004323Oprea1_254943Oprea1_366782
Database identifiers
- CAS
4972-68-3- PubChem CID
- 78670
- DTXSID
DTXSID90197993- ChEMBL
CHEMBL2262189- UNII
- DB9LV2UXW2
- EC Number
- 225-619-5
- Nikkaji
- J203.215E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 109 · 109-112C
- Boiling point
- 173 °C · 173 °C(Press: 13 Torr)
- Density
- 1.079 · 1.079±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- soluble in Chloroform, Dichloromethane, Ethyl Acetate
- form
- Solid
- pka
- 14.06 · 14.06±0.20(Predicted)
- color
- Off-White
- FDA UNII
- 9 LV2UXW2 · DB9LV2UXW2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (33.3%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
UsesAn intermediate of Meperidine (Pethidine) (M223900).
Upstream & downstream products
Downstream products
Suppliers23 total
绍兴赜军生物医药科技有限公司0575-82126188 15395856318
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
绍兴赜军生物医药科技有限公司0575-82126188 15395856318 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海鹤成医药科技有限公司13564747822 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
医恩医疗系统研发(上海)有限公司021-58958002 18930822973 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
16 records
Compound notes
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