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3-butyl-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

3-butyl-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one structure

CAS No:
1155238-81-5
Formula:
C13H16N2O2
Chemical Name:
3-butyl-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Synonyms:
3-butyl-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one;4H-Pyrido[1,2-a]pyrimidin-4-one, 3-butyl-9-hydroxy-2-methyl-

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3-butyl-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one Basic Attributes

Molecular Weight：

232.28

Exact Mass：

232.121

EC Number：

822-566-5

Characteristics

PSA：

54.6

XLogP3：

2.0511

Density：

1.20±0.1 g/cm3

Boiling Point：

393.5±48.0 °C(Predicted)

PKA：

8.17±0.20

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:232.28
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:232.121177757
Monoisotopic Mass:232.121177757
Topological Polar Surface Area:52.9
Heavy Atom Count:17
Complexity:470
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-butyl-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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