Cinchonine Hydrochloride
Basic information
- CAS
24302-67-8- Standard SMILES
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12.Cl- InChIKey
IMUHWLVEEVGMBC-BKUXTCEESA-N- Molecular formula
- C19H23ClN2O
- Average molar mass
- 330.8 g/mol
- Monoisotopic mass
- 330.1498911
Overview
See also: Cinchonine (has active moiety).
Names & identifiers
- Preferred name
- Cinchonine Hydrochloride
- IUPAC
- (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;hydrochloride
- English name
- Cinchonine hydrochloride
- Molecular formula
- C19H23ClN2O
- Molecular weight
- 330.86
Names & synonyms
Cinchonine hydrochloride5949-11-1Cinchonine HClCinchonine, monohydrochloride(+)-Cinchonine hydrochloride4PSQ7YHS4TD-(+)-Cinchonine hydrochlorideCinchonan-9-ol, monohydrochloride, (9S)-UNII-4PSQ7YHS4TCinchonan-9-ol, hydrochloride, (9S)-EINECS 246-139-2NSC 215195
Show more names
Cinchonidine2HClCinchonidine DiHClmethanol dihydrochloride-Quinolin-4-yl((2S,4S,5R)Cinchodinine hydrochlorideCINCHODININE DIHYDROCHLORIDECinchonidineDihydrochloride>(9S)-Cinchonan-9-ol hydrochlorideCINCHONINE HYDROCHLORIDE N-HYDRATE(+)-CINCHONINE HYDROCHLORIDE N-HYDRATE
NSC-215195RefChem:126197Cinchonine, monohydrochloride (8CI)246-139-224302-67-8(S)-Quinolin-4-yl((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol hydrochlorideCinchonium hydrochlorideCinchoninhydrochlorid
Database identifiers
- CAS
24302-67-8、5949-11-1
Properties
Computed structural properties
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Melting point
- 179 °C · 179 °C
- refractive index
- -78 ° · -78 ° (C=1, EtOH)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- very faint turbidity
- Merck
- 1455 · 1455
- CAS DataBase Reference
- 24302 · 24302-67-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312+P330-P501
- Safety Statements
- 24 · 24/25
- HS Code
- 29339900 · 29339900
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 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Safety data
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312+P330-P501
Suppliers
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Related reactions
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Compound notes
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