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54824-20-3

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Basic Information
CAS No.: 54824-20-3
Name: Pinafide
Article Data: 3
Molecular Structure:
Molecular Structure of 54824-20-3 (Pinafide)
Formula: C18H17 N3 O4
Molecular Weight: 339.351
Synonyms: M 12210;MADE 12210; NSC 300289; Pinafide
Density: 1.402g/cm3
Boiling Point: 548°C at 760 mmHg
Flash Point: 285.2°C
Safety: Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 88.13000
LogP: 2.41780
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Chemistry

Empirical Formula of Pinafide (CAS NO.54824-20-3): C18H17N3O4
Molecular Weight: 339.3453 g/mol
Index of Refraction: 1.679
Density: 1.402 g/cm3
Flash Point: 285.2 °C
Enthalpy of Vaporization: 82.75 kJ/mol
Boiling Point: 548 °C at 760 mmHg
Vapour Pressure: 4.61E-12 mmHg at 25 °C
Structure of Pinafide (CAS NO.54824-20-3):
              
Canonical SMILES: C1CCN(C1)CCC2=C3C4=C(C=CC(=C4C=C2)[N+](=O)[O-])C(=O)NC3=O
InChI: InChI=1S/C18H17N3O4/c22-17-13-5-6-14(21(24)25)12-4-3-11(7-10-20-8-1-2-9-
20)15(16(12)13)18(23)19-17/h3-6H,1-2,7-10H2,(H,19,22,23)
InChIKey: MQPLMQZLKKHEEI-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 1 µg/plate

     ENMUDM    Environmental Mutagenesis. 3 (1981),499.
2.    

dni-mus:ast 3 mg/L

     CCPHDZ    Cancer Chemotherapy and Pharmacology. 4 (1980),61.
3.    

oms-mus:ast 3 mg/L

     CCPHDZ    Cancer Chemotherapy and Pharmacology. 4 (1980),61.
4.    

ipr-rat LD50:4500 µg/kg

     CCPHDZ    Cancer Chemotherapy and Pharmacology. 4 (1980),61.
5.    

ipr-mus LD50:12,600 µg/kg

     CCPHDZ    Cancer Chemotherapy and Pharmacology. 4 (1980),61.

Safety Profile

Poison by intraperitoneal route. Mutation data reported. When heated to decomposition Pinafide (CAS NO.54824-20-3) emits toxic fumes of NOx.

Specification

 Pinafide ,its cas register number is 54824-20-3. It also can be called Naphthalimide, 2-(2-(pyrrolidinyl)ethyl)-5-nitro- ; 5-Nitro-2-(2-(1-pyrrolidinyl)ethyl)-1H-benz(de)isoquinoline-1,3(2H)-dione ; and 3-Nitro-N-(2-(1-pyrrolidinyl)ethyl)naphthalimide .