(±)-[3-cyano-3-(3,4-dimethoxyphenyl)hex-6-yl](5,6-dimethoxyphenethyl)methylammonium chloride
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Product Description
Product
(±)-[3-cyano-3-(3,4-dimethoxyphenyl)hex-6-yl](5,6-dimethoxyphenethyl)methylammonium chloride
CAS
23313-68-0
Formula
C27H39ClN2O4; C27H38N2O4.ClH
Typical Product Specifications
Molecular weight
491.06
EINECS
205-800-5
SMILES
[Cl-].COc1ccc(CC[NH+](C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
InChI
DOQPXTMNIUCOSY-UHFFFAOYSA-N
InChIKey
1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H
Storage Temperature
0-6°C
Solubility
methanol: 50 mg/mL, clear, colorless
Melting Point
142 °C (dec.)
Form
powder
Color
white
Class
(±)-[3-cyano-3-(3,4-dimethoxyphenyl)hex-6-yl](5,6-dimethoxyphenethyl)methylammonium chloride
Product Description
Product
(±)-[3-cyano-3-(3,4-dimethoxyphenyl)hex-6-yl](5,6-dimethoxyphenethyl)methylammonium chloride
CAS
23313-68-0
Formula
C27H39ClN2O4; C27H38N2O4.ClH
Typical Product Specifications
Molecular weight
491.06
EINECS
205-800-5
SMILES
[Cl-].COc1ccc(CC[NH+](C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
InChI
DOQPXTMNIUCOSY-UHFFFAOYSA-N
InChIKey
1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H
Storage Temperature
0-6°C
Solubility
methanol: 50 mg/mL, clear, colorless
Melting Point
142 °C (dec.)
Form
powder
Color
white
Class
