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3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium

3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium structure

CAS No:
148671-62-9
Formula:
C11H13NO
Chemical Name:
3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium
Synonyms:
3,3-dimethyl-3,4-dihydroisoquinoline 2-oxide; Isoquinoline,3,4-dihydro-3,3-dimethyl-,2-oxide; 3,3-dimethyl-3,4-dihydroisoquinoline N-oxide; 3,4-Dihydro-3,3-dimethylisoquinoline 2-oxide; 3,4-dihydro-3,3-dimethylisoquinoline N-oxide;

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3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium Basic Attributes

Molecular Weight：

175.22700

Exact Mass：

175.099714038

DSSTox ID：

DTXSID30164043

Characteristics

PSA：

28.75000

XLogP3：

1.90930

Density：

1.08g/cm3

Boiling Point：

306.4ºC at 760mmHg

Flash Point：

140.8ºC

Refractive Index：

1.574

Vapor Pressure：

0.0014mmHg at 25°C

Computed Properties

Molecular Weight:175.23
XLogP3:0.7
Hydrogen Bond Acceptor Count:1
Exact Mass:175.099714038
Monoisotopic Mass:175.099714038
Topological Polar Surface Area:28.8
Heavy Atom Count:13
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3-dimethyl-2-oxido-4H-isoquinolin-2-ium

Basic Attributes
Characteristics
Computed Properties

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