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1,4-dipyrrolidin-1-ylbutane-1,4-dione

1,4-dipyrrolidin-1-ylbutane-1,4-dione structure

CAS No:
63958-62-3
Formula:
C12H20N2O2
Chemical Name:
1,4-dipyrrolidin-1-ylbutane-1,4-dione
Synonyms:
1,4-dipyrrolidinyl-1,4-dioxobutane;MLS001232293;CHEMBL1511658;HMS2985I18;ZINC1446431;1,4-Dipyrrolizino-1,4-butanedione;1,4-dipyrrolidinylbutane-1,4-dione;STK413106;AKOS003238601;MCULE-6799540986;63958-62-3;SMR000679623;1,4-di(pyrrolidin-1-yl)butane-1,4-dione;ST50924386

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1,4-dipyrrolidin-1-ylbutane-1,4-dione Basic Attributes

Molecular Weight：

224.30 g/mol

Exact Mass：

224.152477885 g/mol

Characteristics

PSA：

40.6 Å²

XLogP3：

0.8872

Melting Point：

77 - 78.5 °C (propan-2-ol)

Water Solubility：

>33.6 [ug/mL]

Computed Properties

Molecular Weight:224.30
XLogP3:0.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:224.152477885
Monoisotopic Mass:224.152477885
Topological Polar Surface Area:40.6
Heavy Atom Count:16
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4-dipyrrolidin-1-ylbutane-1,4-dione

Basic Attributes
Characteristics
Computed Properties

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