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1-(2-Quinoxalinyl)-1,2,3,4-butanetetrol

1-(2-Quinoxalinyl)-1,2,3,4-butanetetrol structure

CAS No:
80840-09-1
Formula:
C12H14N2O4
Chemical Name:
1-(2-Quinoxalinyl)-1,2,3,4-butanetetrol
Synonyms:
1,2,3,4-Butanetetrol,1-(2-quinoxalinyl)-;1-(2-Quinoxalinyl)-1,2,3,4-butanetetrol;NSC 90835

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Description

Light Brown Solid

A food metabolite.

1-(2-Quinoxalinyl)-1,2,3,4-butanetetrol Basic Attributes

Molecular Weight：

250.25100

Exact Mass：

250.25

NSC Number：

90835

DSSTox ID：

DTXSID70293583

HScode：

2933990090

Characteristics

PSA：

106.70000

XLogP3：

-1.5

Density：

1.495g/cm3

Melting Point：

180-184 °C

Boiling Point：

575.4ºC at 760 mmHg

Flash Point：

301.8ºC

Refractive Index：

1.706

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-(2-Quinoxalinyl)-1,2,3,4-butanetetrol Use and Manufacturing

A food metabolite

Computed Properties

Molecular Weight:250.25
XLogP3:-1.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:250.09535693
Monoisotopic Mass:250.09535693
Topological Polar Surface Area:107
Heavy Atom Count:18
Complexity:267
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(2-Quinoxalinyl)-1,2,3,4-butanetetrol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

1-(2-Quinoxalinyl)-1,2,3,4-butanetetrol

SDS

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