[(4-butoxycarbonylphenyl)-butyl-carbamoyl]methyl-butyl-azanium chlorid e
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[(4-butoxycarbonylphenyl)-butyl-carbamoyl]methyl-butyl-azanium chlorid e
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CAS No:
78329-87-0
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Formula:
C21H35ClN2O3
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Chemical Name:
[(4-butoxycarbonylphenyl)-butyl-carbamoyl]methyl-butyl-azanium chlorid e
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Synonyms:
C 3192;p-(N-Butyl-2-(butylamino)acetamido)benzoic acid, butyl ester hydrrochloride;BENZOIC ACID, p-(N-BUTYL-2-(BUTYLAMINO)ACETAMIDO)-, BUTYL ESTER, HYDROCHLORIDE;N-(2-{[4-(Butoxycarbonyl)phenyl](butyl)amino}-2-oxoethyl)-1-butanaminium chloride;CTK9A4862;LS-36343
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CAS No:
[(4-butoxycarbonylphenyl)-butyl-carbamoyl]methyl-butyl-azanium chlorid e Basic Attributes
398.972
398.234
Characteristics
63.2
Celiac-rat LD50: 260 mg/kg
Thermal decomposition releases toxic nitrogen oxides and hydrogen chloride fumes
Computed Properties
Molecular Weight:399.0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:14
Exact Mass:398.2336207
Monoisotopic Mass:398.2336207
Topological Polar Surface Area:63.2
Heavy Atom Count:27
Complexity:393
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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[(4-butoxycarbonylphenyl)-butyl-carbamoyl]methyl-butyl-azanium chlorid e
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