Basic information
- CAS
485-65-4- Standard SMILES
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12- InChIKey
WFJNHVWTKZUUTR-QAMTZSDWSA-N- Molecular formula
- C19H24N2O
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.18886339
Overview
Hydrocinchonine is a cinchona alkaloid.
Names & identifiers
- Preferred name
- Hydrocinchonine, (+)-
- IUPAC
- (S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
- English name
- Hydrocinchonine
- Molecular formula
- C19H24N2O
- Molecular weight
- 296.41
Names & synonyms
Hydrocinchonine485-65-4(9S)-10,11-Dihydrocinchonan-9-ol(+)-hydrocinchoninePseudocinchonineCINCONIFINE10,11-dihydrocinchonineZPF9J31NM8HYDROCINCHONINE, (+)-EINECS 207-621-8HYDROCINCHONINE [MI]Cinchonan-9-ol, 10,11-dihydro-, (9S)-
Show more names
DIHYDROCINCHONINE(S)-((1S,2R,4S,5R)-5-ethylquinuclidin-2-yl)(quinolin-4-yl)methanolHYDROCINCHONINE 97%Quinidine Impurity 3Quinidine Impurity 15(+)-Dihydrocinchonine-RMHydrocinchonine (Standard)
DTXSID30878431(+)-DihydrocinchonineRefChem:789006DTXCID601016478207-621-8(5-ethyl-1-azabicyclo(2.2.2)octan-2-yl)(quinolin-4-yl)methanol{5-ethyl-1-azabicyclo[2.2.2]octan-2-yl}(quinolin-4-yl)methanol(1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(quinolin-4-yl)methanol
Database identifiers
- CAS
485-65-4- PubChem CID
- 11630759
- DTXSID
DTXSID30878431- ChEMBL
CHEMBL548921- ChEBI
CHEBI:174145- UNII
- ZPF9J31NM8
- EC Number
- 207-621-8
- Nikkaji
- J6.002J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Melting point
- 269 · 269-272 °C(lit.)
- alpha
- 14 · D14 +204° (c = 0.6 in alc)
- Boiling point
- 438 °C · 438°C (rough estimate)
- Density
- 1.0689 · 1.0689 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- powder to crystal
- pka
- 12.98 · 12.98±0.20(Predicted)
- color
- White to Almost white
- optical activity
- 20 · [α]20/D +197±4°, c = 0.25% in ethanol
- Water Solubility
- 768.6 mg/L · 768.6mg/L(25 ºC)
- Merck
- 13 · 13,4804
- BRN
- 4296749 · 4296749
- InChIKey
- WFJNHVWTKZUUTR-QAMTZSDWSA-N
- FDA UNII
- 9 J31NM8 · ZPF9J31NM8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36/37
- WGK Germany
- 3 · 3
- F
- 8 · 8
- HS Code
- 2939.2 · 2939.20.0050
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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. 4 (100%)
Safety data
- F
- 8
- wgk
- 3
- hs_code
- 2939.20.0050
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesHydrocinchonin is used in the enantioselective hydrogenation of α-ketoesters and the enantioselective synthesis of functionalized α-aminophosphonic acid derivatives.
Upstream & downstream products
Upstream raw materials
Suppliers52 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海有吉医药化工有限公司021-50689757 15618953996 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
小辣椒试剂021-60702684 18516024827 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海安屹诺生物医药科技有限公司021-34625901 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Additional notes
DefinitionChEBI: Hydrocinchonine is a cinchona alkaloid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…