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Bifemelane Hydrochloride
[CAS# 62232-46-6]

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Identification
Name Bifemelane Hydrochloride
Synonyms 4-(2-Benzylphenoxy)Butyl-Methyl-Ammonium Chloride; 4-(2-Benzylphenoxy)Butyl-Methylammonium Chloride; Methyl-[4-[2-(Phenylmethyl)Phenoxy]Butyl]Azanium Chloride
Molecular Structure CAS#: 62232-46-6, Bifemelane Hydrochloride
Molecular Formula C18H24ClNO
Molecular Weight 305.85
CAS Registry Number 62232-46-6
SMILES C1=C(C(=CC=C1)OCCCC[NH2+]C)CC2=CC=CC=C2.[Cl-]
InChI 1S/C18H23NO.ClH/c1-19-13-7-8-14-20-18-12-6-5-11-17(18)15-16-9-3-2-4-10-16;/h2-6,9-12,19H,7-8,13-15H2,1H3;1H
InChIKey MEAHDXWXNNDSAK-UHFFFAOYSA-N
Properties
Boiling point 395.4°C at 760 mmHg (Cal.)
Flash point 169.2°C (Cal.)
solubility Soluble to 100 mM in water and to 100 mM in DMSO
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