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2-(2-methylpiperidin-1-ium-1-yl)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate,chloride

2-(2-methylpiperidin-1-ium-1-yl)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate,chloride structure

CAS No:
100836-66-6
Formula:
C21H35ClN2O3
Chemical Name:
2-(2-methylpiperidin-1-ium-1-yl)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate,chloride
Synonyms:
C 2141; N-Methyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid,2-(2-methylpiperidino)ethyl ester,HCl; 1-[2-({[1-(3,5-dimethylphenoxy)propan-2-yl](methyl)carbamoyl}oxy)ethyl]-2-methylpiperidinium chloride; Carbamic acid,N-methyl-N-(1-(3,5-xylyloxy)-2-propyl)-,2-(2-methylpiperidino)ethyl ester,hydrochloride; 2-(2-methylpiperidin-1-ium-1-yl)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate chloride;

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2-(2-methylpiperidin-1-ium-1-yl)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate,chloride Basic Attributes

Molecular Weight：

398.96700

Exact Mass：

398.2336207 g/mol

Characteristics

PSA：

42.01000

XLogP3：

4.75340

Boiling Point：

478.4ºC at 760mmHg

Flash Point：

243.1ºC

Vapor Pressure：

2.58E-09mmHg at 25°C

Computed Properties

Molecular Weight:399.0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:398.2336207
Monoisotopic Mass:398.2336207
Topological Polar Surface Area:43.2
Heavy Atom Count:27
Complexity:422
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-(2-methylpiperidin-1-ium-1-yl)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate,chloride

Basic Attributes
Characteristics
Computed Properties
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