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1-(3-Sulfo-4-phenoxyphenyl)-3-(stearoylamino)pyrazolin-5-one

1-(3-Sulfo-4-phenoxyphenyl)-3-(stearoylamino)pyrazolin-5-one structure

CAS No:
25985-53-9
Formula:
C33H47N3O6S
Chemical Name:
1-(3-Sulfo-4-phenoxyphenyl)-3-(stearoylamino)pyrazolin-5-one
Synonyms:
Benzenesulfonic acid,5-[4,5-dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxy-;Benzenesulfonic acid,5-(5-oxo-3-stearamido-2-pyrazolin-1-yl)-2-phenoxy-;5-[4,5-Dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid;1-(4-Phenoxy-3-sulfophenyl)-3-(stearoylamino)-5-pyrazolone;1-(3-Sulfo-4-phenoxyphenyl)-3-(stearoylamino)pyrazolin-5-one;1-(4′-Phenoxy-3′-sulfophenyl)-3-stearoylaminopyrazolone

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1-(3-Sulfo-4-phenoxyphenyl)-3-(stearoylamino)pyrazolin-5-one Basic Attributes

Molecular Weight：

613.81

Exact Mass：

613.81

EC Number：

247-390-0

DSSTox ID：

DTXSID50180649

HScode：

2933199090

Characteristics

PSA：

134

XLogP3：

9.12580

Density：

1.19g/cm3

Melting Point：

237-240 °C(lit.)

Refractive Index：

1.576

Safety Information

Transport codes：

UN 2585 8/PG 3

wgk germany：

hazard class code：

safety instructions：

22-26-27-36/37/39-45

Marks：

Precautionary statement(s)：

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, 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.

Computed Properties

Molecular Weight:613.8
XLogP3:9.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:21
Exact Mass:613.31855740
Monoisotopic Mass:613.31855740
Topological Polar Surface Area:134
Heavy Atom Count:43
Complexity:960
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3-Sulfo-4-phenoxyphenyl)-3-(stearoylamino)pyrazolin-5-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-(3-Sulfo-4-phenoxyphenyl)-3-(stearoylamino)pyrazolin-5-one

SDS

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