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3690-04-8

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Basic Information
CAS No.: 3690-04-8
Name: AMINOPROPYLON
Article Data: 3
Molecular Structure:
Molecular Structure of 3690-04-8 (AMINOPROPYLON)
Formula: C16H22 N4 O2
Molecular Weight: 302.376
Synonyms: Propionamide,N-antipyrinyl-2-(dimethylamino)- (6CI,7CI,8CI); 4-[2-(Dimethylamino)propionamido]antipyrine;Aminopropylon; Aminopropylone; Amipylo; PK 3; PK 3 (pharmaceutical)
Density: 1.2g/cm3
Melting Point: 181°
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Moderately toxic by ingestion and other routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 59.27000
LogP: 1.44600
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Chemistry

IUPAC name: 2-(Dimethylamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide 
Following is the Structure of Aminopropylon (CAS NO.3690-04-8):
      
Empirical Formula: C16H22N4O2
Molecular Weight: 302.3715 g/mol
EINECS: 222-999-4
Density: 1.2 g/cm3
Molar Refractivity: 85.96 cm3
Molar Volume: 249.9 cm3
Index of Refraction: 1.603
Surface Tension of Aminopropylon (CAS NO.3690-04-8): 51.7 dyne/cm
Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)N(C)C
InChI: InChI=1S/C16H22N4O2/c1-11-14(17-15(21)12(2)18(3)4)16(22)20(19(11)5)13-9-7-6-8-10-13/h6-10,12H,1-5H3,(H,17,21)
InChIKey: UQNCVOXEVRELFR-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:2950 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 13 (1977),109.
2.    

ipr-mus LD50:820 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 13 (1977),109.
3.    

ims-mus LD50:2120 mg/kg

     OYYAA2    Oyo Yakuri. Pharmacometrics. 13 (1977),109.

Safety Profile

Moderately toxic by ingestion and other routes. When heated to decomposition, Aminopropylon (CAS NO.3690-04-8) emits toxic fumes of NOx.

Specification

 Aminopropylon , its cas register number is 3690-04-8. It also can be called  4-(2-(Dimethylamino)propionamido)antipyrine ; Aminopropylon ; Aminopropylone ; Mipylo ; N-Antipyrinyl-2-(dimethylamino)propionamide ; and Propanamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-(dimethylamino)- . It's Classification Code is Drug / Therapeutic Agent .