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1-Pentanamine, N,N-diethyl-4-[phenyl[3-(trifluoromethyl)phenyl]methoxy]-, 2-hydroxy-1,2,3-propanetricarboxylate, hydrate (2:2:1)

1-Pentanamine, N,N-diethyl-4-[phenyl[3-(trifluoromethyl)phenyl]methoxy]-, 2-hydroxy-1,2,3-propanetricarboxylate, hydrate (2:2:1) structure

CAS No:
74050-99-0
Formula:
C23H30F3NO.C6H8O7.¹/2H2O
Chemical Name:
1-Pentanamine, N,N-diethyl-4-[phenyl[3-(trifluoromethyl)phenyl]methoxy]-, 2-hydroxy-1,2,3-propanetricarboxylate, hydrate (2:2:1)
Synonyms:
1-Pentanamine,N,N-diethyl-4-[phenyl[3-(trifluoromethyl)phenyl]methoxy]-,2-hydroxy-1,2,3-propanetricarboxylate,hydrate (2:2:1)

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1-Pentanamine, N,N-diethyl-4-[phenyl[3-(trifluoromethyl)phenyl]methoxy]-, 2-hydroxy-1,2,3-propanetricarboxylate, hydrate (2:2:1) Basic Attributes

Molecular Weight：

1189.23000

Exact Mass：

1188.52046800

Characteristics

PSA：

298.43000

XLogP3：

10.08250

Boiling Point：

416.1ºC

Flash Point：

205.4ºC

Computed Properties

Molecular Weight:1189.2
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:25
Rotatable Bond Count:30
Exact Mass:1188.52046800
Monoisotopic Mass:1188.52046800
Topological Polar Surface Area:290
Heavy Atom Count:83
Complexity:646
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes

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Guide of 1-Pentanamine, N,N-diethyl-4-[phenyl[3-(trifluoromethyl)phenyl]methoxy]-, 2-hydroxy-1,2,3-propanetricarboxylate, hydrate (2:2:1)

Basic Attributes
Characteristics
Computed Properties

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