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3-Ethylhexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one

3-Ethylhexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one structure

CAS No:
71556-74-6
Formula:
C15H21NO2
Chemical Name:
3-Ethylhexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one
Synonyms:
2H-Azepin-2-one,3-ethylhexahydro-3-(3-hydroxyphenyl)-1-methyl-;3-Ethylhexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one;3-Ethyl-3-(3-hydroxyphenyl)-1-methylazepan-2-one

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3-Ethylhexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one Basic Attributes

Molecular Weight：

247.33300

Exact Mass：

247.33

EC Number：

275-622-0

HScode：

2933790090

Characteristics

PSA：

40.54000

XLogP3：

2.62020

Density：

1.073g/cm3

Melting Point：

172-180 °C @ Solvent: Ethyl acetate

Boiling Point：

429.8ºC

Flash Point：

213.7ºC

Refractive Index：

1.534

Safety Information

hazard class code：

R20/21/22; R36/37/38

safety instructions：

S22; S26; S36/37/39

Computed Properties

Molecular Weight:247.33
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:247.157228913
Monoisotopic Mass:247.157228913
Topological Polar Surface Area:40.5
Heavy Atom Count:18
Complexity:305
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Ethylhexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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