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4-[3-hydroxy-2-(propan-2-ylamino)-3-bicyclo[2.2.1]heptanyl]benzene-1,2-diol

4-[3-hydroxy-2-(propan-2-ylamino)-3-bicyclo[2.2.1]heptanyl]benzene-1,2-diol structure

CAS No:
118891-95-5
Formula:
C16H23NO3
Chemical Name:
4-[3-hydroxy-2-(propan-2-ylamino)-3-bicyclo[2.2.1]heptanyl]benzene-1,2-diol
Synonyms:
1,2-Benzenediol,4-[2-hydroxy-3-[(1-methylethyl)amino]bicyclo[2.2.1]hept-2-yl]-,(endo,endo)-(9CI); N-ISOPROPYL-3-AMINO-2-(3,4-DIHYDROXYPHENYL)-2-HYDROXYBICYCLO[2.2.1]HEPTANE; exo-2-(3,4-dihydroxyphenyl)-2-hydroxy-endo-3-(isopropylamino)bicyclo[2.2.1]heptane; N-Iadhh;

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4-[3-hydroxy-2-(propan-2-ylamino)-3-bicyclo[2.2.1]heptanyl]benzene-1,2-diol Basic Attributes

Molecular Weight：

277.35900

Exact Mass：

277.16779360

Characteristics

PSA：

72.72000

XLogP3：

2.47280

Density：

1.26g/cm3

Boiling Point：

473.4ºC

Flash Point：

163.6ºC

Refractive Index：

1.623

Vapor Pressure：

9.06E-10mmHg at 25°C

Drug Information

MeSH Entry Terms：

N-IADHH

Computed Properties

Molecular Weight:277.36
XLogP3:1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:277.16779360
Monoisotopic Mass:277.16779360
Topological Polar Surface Area:72.7
Heavy Atom Count:20
Complexity:362
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[3-hydroxy-2-(propan-2-ylamino)-3-bicyclo[2.2.1]heptanyl]benzene-1,2-diol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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