3-benzyl-4-carbamoylmethylsydnone supplier

Name
3-Benzyl-4-carbamoylmethylsydnone
EINECS
CAS No. 14504-15-5
Density 1.2752 (rough estimate)
Solubility
Melting Point
Formula C11H11 N3 O3
Boiling Point 375.46°C (rough estimate)
Molecular Weight 233.227
Flash Point
Transport Information
Appearance
Safety Mildly toxic by ingestion. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Sydnone,3-benzyl-4-(carbamoylmethyl)- (8CI); Sydnone, 4-(2-amino-2-oxoethyl)-3-(phenylmethyl)-;3-Benzylsydnone-4-acetamide
PSA 91.12000
LogP 0.61270

3-benzyl-4-carbamoylmethylsydnone Chemical Properties

IUPAC Name: 4-(2-amino-2-oxoethyl)-3-benzyloxadiazol-3-ium-5-olate
Synonyms of 3-benzyl-4-carbamoylmethylsydnone (CAS NO.14504-15-5): 3-Benzylsydnone-4-acetamide ; BRN 5794230 ; CCRIS 4544 ; Sydnone-4-acetamide, 3-benzyl- ; Sydnone, 3-benzyl-4-carbamoylmethyl-
CAS NO: 14504-15-5
Molecular Formula of 3-benzyl-4-carbamoylmethylsydnone (CAS NO.14504-15-5): C₁₁H₁₁N₃O₃
Molecular Weight: 233.2233
Molecular Structure:

H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 5
Polar Surface Area of 3-benzyl-4-carbamoylmethylsydnone (CAS NO.14504-15-5): 70.45 Å²
SMILES: [O-]c1on[n+](c1CC(=O)N)Cc2ccccc2
InChI: InChI=1/C11H11N3O3/c12-10(15)6-9-11(16)17-13-14(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2-,12,13,15,16)
InChIKey: GPEINOHASDVYFS-UHFFFAOYAL
Std. InChI: InChI=1S/C11H11N3O3/c12-10(15)6-9-11(16)17-13-14(9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2-,12,13,15,16)
Std. InChIKey: GPEINOHASDVYFS-UHFFFAOYSA-N

3-benzyl-4-carbamoylmethylsydnone Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	4450mg/kg (4450mg/kg)		Gann. Japanese Journal of Cancer Research. Vol. 65, Pg. 273, 1974.

3-benzyl-4-carbamoylmethylsydnone Safety Profile

Mildly toxic by ingestion. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of NO_x.

Product Name

3-Benzyl-4-carbamoylmethylsydnone

3-benzyl-4-carbamoylmethylsydnone Chemical Properties

3-benzyl-4-carbamoylmethylsydnone Toxicity Data With Reference

3-benzyl-4-carbamoylmethylsydnone Safety Profile

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