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cephedrine

cephedrine structure

CAS No:
67055-59-8
Formula:
C13H18N2O
Chemical Name:
cephedrine
Synonyms:
cephedrine;3-[2-Hydroxy-1-methyl-2-phenylethyl(methyl)amino]propiononitrile;Cefedrine;Tsephedrin
Categories:
Organic Chemistry > Amides

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cephedrine Basic Attributes

Molecular Weight：

218.3

Exact Mass：

218.142

Characteristics

PSA：

47.3

XLogP3：

1.4

Density：

1.0346 (rough estimate)

Toxicity：

Oral-rat LD50: 940 mg/kg; Oral-Mouse LD50: 465 mg/kg

Flammability characteristics：

Thermal decomposition releases toxic nitrogen oxides and cyanide fumes

Safety Information

Storage features：

The warehouse is low-temperature, ventilated and dry

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

1-phenyl-2-(methyl-(beta-cyanoethyl)-amino) propanol-1

Computed Properties

Molecular Weight:218.29
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:218.141913202
Monoisotopic Mass:218.141913202
Topological Polar Surface Area:47.3
Heavy Atom Count:16
Complexity:240
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes