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3-Benzyl-4-carbamoylmethylsydnone

3-Benzyl-4-carbamoylmethylsydnone structure

CAS No:
14504-15-5
Formula:
C11H11N3O3
Chemical Name:
3-Benzyl-4-carbamoylmethylsydnone
Synonyms:
3-Benzyl-4-carbamoylmethylsydnone

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3-Benzyl-4-carbamoylmethylsydnone Basic Attributes

Molecular Weight：

233.227

Exact Mass：

233.08

DSSTox ID：

DTXSID5020158

Characteristics

PSA：

96.1

XLogP3：

1.6

Density：

1.2752 (rough estimate)

Boiling Point：

375.46°C (rough estimate)

Refractive Index：

1.4930 (estimate)

Toxicity：

Oral-rat LD50: 4450 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide fumes

Safety Information

Storage features：

Ventilated, low temperature and dry

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

3-benzylsydnone-4-acetamide

Computed Properties

Molecular Weight:233.22
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:233.08004122
Monoisotopic Mass:233.08004122
Topological Polar Surface Area:96.1
Heavy Atom Count:17
Complexity:269
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Benzyl-4-carbamoylmethylsydnone

Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Computed Properties

3-Benzyl-4-carbamoylmethylsydnone

SDS

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