Cinchonine monohydrochloride hydrate

• CAS: 206986-88-1
• Catalog Number: ACM206986881
• Category: Other Products
• Molecular Weight: 348.9
• Molecular Formula: C₁₉H₂₂N₂O₂₂₆;HCl₂₂₆;xH₂O
• Synonyms: cinchonine, (9S)-Cinchonan-9-ol, D-Cinchonine, 118-10-5, (-)-Cinchonidine, (8R,9S)-Cinchonine, NSC6176, NSC 6176, CAS-118-10-5, Cinchonan-9(S)-ol monohydrochloride, AC1MC4SN, DSSTox_CID_25082, DSSTox_RID_80657, DSSTox_GSID_45082, CHEMBL2357353, SCHEMBL12268411, HMS1569J14, Tox21_110009, AKOS015960471, NCGC00013067-01
• IUPAC Name: (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
• Canonical SMILES: C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O
• InChI: InChI=1S/C19H22N2O.ClH.H₂O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;/h2-7,9,13-14,18-19,22H,1,8,10-12H2;1H;1H2/t13-,14-,18+,19-;/m0./s1
• InChI Key: BJPKGJFSLFTZSO-OPMVAYRNSA-N
• Melting Point: 208-218 °C
• Complexity: 412
• Covalently-Bonded Unit Count: 3
• Defined Atom Stereocenter Count: 4
• EC Number: 204-234-6
• Exact Mass: 348.1604557
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 24
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 3
• Isomeric SMILES: C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)O.O.Cl
• Monoisotopic Mass: 348.1604557
• Physical State: Solid
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 37.4 Ų

Custom Q&A

What is the molecular formula of Cinchonine monohydrochloride hydrate?

The molecular formula of Cinchonine monohydrochloride hydrate is C19H25ClN2O2.

What is the CAS number of Cinchonine monohydrochloride hydrate?

The CAS number of Cinchonine monohydrochloride hydrate is 206986-88-1.

In what form does Cinchonine monohydrochloride hydrate exist?

Cinchonine monohydrochloride hydrate exists in the form of powder to crystal.

What is the melting point of Cinchonine monohydrochloride hydrate?

The melting point of Cinchonine monohydrochloride hydrate is 208-218 °C.

Is Cinchonine monohydrochloride hydrate soluble in Ethanol?

Yes, Cinchonine monohydrochloride hydrate is soluble in Ethanol.

What color is Cinchonine monohydrochloride hydrate?

Cinchonine monohydrochloride hydrate is White to Almost white in color.

What is the optical activity of Cinchonine monohydrochloride hydrate in chloroform?

The optical activity of Cinchonine monohydrochloride hydrate in chloroform is [α]20/D +101°, c = 1.

What are the hazard codes associated with Cinchonine monohydrochloride hydrate?

The hazard code associated with Cinchonine monohydrochloride hydrate is Xn.

What are the risk statements for Cinchonine monohydrochloride hydrate?

The risk statements for Cinchonine monohydrochloride hydrate are 20/21/22.

What safety statements are recommended for handling Cinchonine monohydrochloride hydrate?

Safety statements 36/37-36 are recommended for handling Cinchonine monohydrochloride hydrate.