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epinine 4-O-sulfate

epinine 4-O-sulfate structure

CAS No:
101910-86-5
Formula:
C9H13NO5S
Chemical Name:
epinine 4-O-sulfate
Synonyms:
epinine 4-O-sulfate;N-methyldopamine 4-O-sulfate;[2-hydroxy-4-[2-(methylamino)ethyl]phenyl] hydrogen sulfate;DTXSID10144328;1,2-Benzenediol, 4-(2-(methylamino)ethyl)-, 1-(hydrogen sulfate)
Categories:
Organic Chemistry > Amides

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epinine 4-O-sulfate Basic Attributes

Molecular Weight：

247.26822

Exact Mass：

247.051

DSSTox ID：

DTXSID10144328

Characteristics

PSA：

104

XLogP3：

-1.8

Drug Information

MeSH Entry Terms：

epinine 4-O-sulfate

Computed Properties

Molecular Weight:247.27
XLogP3:-1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:247.05144369
Monoisotopic Mass:247.05144369
Topological Polar Surface Area:104
Heavy Atom Count:16
Complexity:300
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes