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BINUCLEINE 2

BINUCLEINE 2 structure

CAS No:
220088-42-6
Formula:
C13H11ClFN5
Chemical Name:
BINUCLEINE 2
Categories:
Organic Chemistry > Imines

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BINUCLEINE 2 Basic Attributes

Molecular Weight：

291.716

Exact Mass：

291.069

DSSTox ID：

DTXSID90430554

Characteristics

PSA：

57.2

XLogP3：

2.3

Appearance：

solid

Density：

1.307g/cm3

Boiling Point：

456.946ºC at 760 mmHg

Flash Point：

230.153ºC

Refractive Index：

1.61

Water Solubility：

DMSO: >5 mg/mL, soluble

Storage Conditions：

2-8°C

Vapor Pressure：

0mmHg at 25°C

Safety Information

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

25-41

safety instructions：

26-39-45

Marks：

Precautionary statement(s)：

P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, 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.

Drug Information

MeSH Entry Terms：

binucleine 2

Computed Properties

Molecular Weight:291.71
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:291.0687012
Monoisotopic Mass:291.0687012
Topological Polar Surface Area:57.2
Heavy Atom Count:20
Complexity:407
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes