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4-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]-4-(isothiocyanatomethyl)-5-methylhexan-1-amine

4-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]-4-(isothiocyanatomethyl)-5-methylhexan-1-amine structure

CAS No:
102852-53-9
Formula:
C28H40N2O4S
Chemical Name:
4-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]-4-(isothiocyanatomethyl)-5-methylhexan-1-amine
Synonyms:
Benzenebutanamine,N-[2-(3,4-dimethoxyphenyl)ethyl]-d-(isothiocyanatomethyl)-3,4-dimethoxy-N-methyl-d-(1-methylethyl); (+/-)-5-<(3,4-dimethoxyphenethyl)methylamino>-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate; Benzenebutanamine,N-[2-(3,4-dimethoxyphenyl)ethyl]-d-(isothiocyanatomethyl)-3,4-dimethoxy-N-methyl-d-(1-methylethyl)-,(?A'A A'A currency);
Categories:
Organic Chemistry > Amides

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4-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]-4-(isothiocyanatomethyl)-5-methylhexan-1-amine Basic Attributes

Molecular Weight：

500.69300

Exact Mass：

500.27087894 g/mol

Characteristics

PSA：

93.40000

XLogP3：

6.11110

Density：

1.05g/cm3

Boiling Point：

614.2ºC at 760mmHg

Flash Point：

325.3ºC

Refractive Index：

1.524

Vapor Pressure：

5.08E-15mmHg at 25°C

Drug Information

MeSH Entry Terms：

5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate

Computed Properties

Molecular Weight:500.7
XLogP3:7.3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:15
Exact Mass:500.27087894
Monoisotopic Mass:500.27087894
Topological Polar Surface Area:84.6
Heavy Atom Count:35
Complexity:644
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]-4-(isothiocyanatomethyl)-5-methylhexan-1-amine

Basic Attributes
Characteristics
Drug Information
Computed Properties
Latest News
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