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1-[2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-5-nitrophenyl]ethanone

1-[2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-5-nitrophenyl]ethanone structure

CAS No:
329722-32-9
Formula:
C15H22N2O5
Chemical Name:
1-[2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-5-nitrophenyl]ethanone
Synonyms:
Ethanone,1-[2-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-5-nitrophenyl]-;1-[2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-5-nitrophenyl]ethanone

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1-[2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-5-nitrophenyl]ethanone Basic Attributes

Molecular Weight：

310.35

Exact Mass：

310.35

DSSTox ID：

DTXSID90573314

Characteristics

PSA：

104.38000

XLogP3：

2.83930

Density：

1.181±0.06 g/cm3

Boiling Point：

481.8±45.0 °C(Predicted)

PKA：

13.63±0.20

1-[2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-5-nitrophenyl]ethanone Use and Manufacturing

Celiprolol intermediate.

Computed Properties

Molecular Weight:310.35
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:310.15287181
Monoisotopic Mass:310.15287181
Topological Polar Surface Area:104
Heavy Atom Count:22
Complexity:388
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: n2o5 name; t butyl alcohol; methyl formate; amytal sodium; cephalin; structure isopropyl

Guide of 1-[2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-5-nitrophenyl]ethanone

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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