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1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione

1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione structure

CAS No:
92538-64-2
Formula:
C12H18N2O4
Chemical Name:
1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione
Synonyms:
Piperazine, 1,4-bis(1,3-dioxobutyl)-;92538-64-2;NSC163089;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;ACMC-20lw4c;SCHEMBL13429460;DTXSID60303867;ZINC1635520;AKOS024322973;MCULE-3374738190;NSC-163089;1,4-BIS-(ACETOACETYL)-PIPERAZINE;1,1'-(Piperazine-1,4-diyl)bis(butane-1,3-dione)

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1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione Basic Attributes

Molecular Weight：

254.28 g/mol

Exact Mass：

254.12665706 g/mol

NSC Number：

163089

DSSTox ID：

DTXSID60303867

Characteristics

PSA：

74.8 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:254.28
XLogP3:-1.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:254.12665706
Monoisotopic Mass:254.12665706
Topological Polar Surface Area:74.8
Heavy Atom Count:18
Complexity:334
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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