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4-hydroxy-3-(piperidin-1-ylmethyl)naphthalene-1,2-dione

4-hydroxy-3-(piperidin-1-ylmethyl)naphthalene-1,2-dione structure

CAS No:
5718-82-1
Formula:
C16H17NO3
Chemical Name:
4-hydroxy-3-(piperidin-1-ylmethyl)naphthalene-1,2-dione
Synonyms:
2-HYDROXY-3-PIPERIDIN-1-YLMETHYL-(1,4)NAPHTHOQUINONE;ZINC19892844;AKOS024341173;MCULE-6342824514;5718-82-1;2-hydroxy-3-(1-piperidylmethyl)naphthalene-1,4-dione;1,4-Naphthalenedione, 2-hydroxy-3-(1-piperidinylmethyl)-;2-Hydroxy-3-(piperidin-1-ylmethyl)naphthalene-1,4-dione;Q176 2-HYDROXY-3-(PIPERIDINOMETHYL)-1,4-NAPHTHOQUINONE

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4-hydroxy-3-(piperidin-1-ylmethyl)naphthalene-1,2-dione Basic Attributes

Molecular Weight：

271.31 g/mol

Exact Mass：

271.12084340 g/mol

Characteristics

PSA：

57.6 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:271.31
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:271.12084340
Monoisotopic Mass:271.12084340
Topological Polar Surface Area:57.6
Heavy Atom Count:20
Complexity:449
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-hydroxy-3-(piperidin-1-ylmethyl)naphthalene-1,2-dione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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