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1-[(2S,3R)-2,3-dimethylaziridin-1-yl]-3-(2-nitroimidazol-1-yl)propan-2-ol

1-[(2S,3R)-2,3-dimethylaziridin-1-yl]-3-(2-nitroimidazol-1-yl)propan-2-ol structure

CAS No:
105027-77-8
Formula:
C10H16N4O3
Chemical Name:
1-[(2S,3R)-2,3-dimethylaziridin-1-yl]-3-(2-nitroimidazol-1-yl)propan-2-ol
Synonyms:
C10H16N4O3; Rsu 1164;

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1-[(2S,3R)-2,3-dimethylaziridin-1-yl]-3-(2-nitroimidazol-1-yl)propan-2-ol Basic Attributes

Molecular Weight：

240.25900

Exact Mass：

240.12224039 g/mol

NSC Number：

600667

HScode：

2933990090

Characteristics

PSA：

86.88000

XLogP3：

0.70590

Density：

1.46g/cm3

Boiling Point：

457.4ºC

Flash Point：

230.4ºC

Refractive Index：

1.662

Vapor Pressure：

3.69E-09mmHg at 25°C

Drug Information

MeSH Entry Terms：

1-(2-nitro-1-imidazoly)-3-(2,3-dimethylaziridino)-2-propanol

Computed Properties

Molecular Weight:240.26
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:240.12224039
Monoisotopic Mass:240.12224039
Topological Polar Surface Area:86.9
Heavy Atom Count:17
Complexity:288
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[(2S,3R)-2,3-dimethylaziridin-1-yl]-3-(2-nitroimidazol-1-yl)propan-2-ol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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