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1,3-bis[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea

1,3-bis[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea structure

CAS No:
125579-40-0
Formula:
C31H46N4O7
Chemical Name:
1,3-bis[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea
Synonyms:
1,3-Bis(3-acetyl-4-(3-(tert-butylamino)-2-hydroxypropoxy)phenyl)urea; N-113; N,N'-Bis(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)urea; Urea,N,N'-bis(3-acetyl-4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl);

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1,3-bis[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea Basic Attributes

Molecular Weight：

586.72000

Exact Mass：

586.33664982 g/mol

Characteristics

PSA：

161.74000

XLogP3：

4.85980

Density：

1.191g/cm3

Boiling Point：

692.3ºC

Flash Point：

372.5ºC

Refractive Index：

1.581

Vapor Pressure：

4.05E-20mmHg at 25°C

Computed Properties

Molecular Weight:586.7
XLogP3:1.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:16
Exact Mass:586.33664982
Monoisotopic Mass:586.33664982
Topological Polar Surface Area:158
Heavy Atom Count:42
Complexity:804
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-bis[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea

Basic Attributes
Characteristics
Computed Properties

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