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(9S)-1-Benzyl-9-hydroxycinchonanium chloride

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Name

(9S)-1-Benzyl-9-hydroxycinchonanium chloride

EINECS 273-915-8
CAS No. 69221-14-3 Density N/A
PSA 33.12000 LogP 1.84240
Solubility N/A Melting Point 256 °C (dec.)(lit.)
Formula C26H29ClN2O Boiling Point N/A
Molecular Weight 420.982 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 69221-14-3 (N-BENZYLCINCHONINIUM CHLORIDE) Hazard Symbols IrritantXi
Synonyms

(+)-1-Benzylcinchoniniumchloride;(+)-N-Benzylcinchonine chloride;(+)-N-Benzylcinchoninium chloride;1-Benzylcinchoninium chloride;N-Benzylcinchoninium chloride;N-Benzylcinchonium chloride;cinchonan-1-ium, 9-hydroxy-1-(phenylmethyl)-, chloride, (1β,9S)- (1:1);

Article Data 5

(9S)-1-Benzyl-9-hydroxycinchonanium chloride Specification

The CAS register number of (9S)-1-Benzyl-9-hydroxycinchonanium chloride is 69221-14-3. It also can be called as Cinchonanium,9-hydroxy-1-(phenylmethyl)-, chloride, (9S)- and the systematic name about this chemical is (9S)-1-benzylcinchonan-1-ium-9-ol chloride. The molecular formula about this chemical is C26H29ClN2O and the molecular weight is 420.97. It belongs to the following product categories which include Chiral; Alkaloids; Ammonium Chlorides (Quaternary); Asymmetric Synthesis; Biochemistry; Chiral Phase-Transfer Catalysts; Quaternary Ammonium Compounds; Quinoline Alkaloids; Quinolinecarboxylic Acids, etc.; Quinolines; Synthetic Organic Chemistry and so on.

Physical properties about (9S)-1-Benzyl-9-hydroxycinchonanium chloride are: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 33.12Å2.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].C=CC5C[N@+]4(Cc1ccccc1)CC[C@H]5C[C@@H]4[C@@H](O)c2ccnc3ccccc23
(2)InChI: InChI=1/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20?,21-,25+,26-,28+;/m0./s1
(3)InChIKey: FCHYSBWCOKEPNQ-WHFRQREHBW
(4)Std. InChI: InChI=1S/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20?,21-,25+,26-,28+;/m0./s1
(5)Std. InChIKey: FCHYSBWCOKEPNQ-DUWMGHLWSA-M

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