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63980-20-1

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Basic Information
CAS No.: 63980-20-1
Name: N-ethyldiazenylethanamine
Article Data: 2
Molecular Structure:
Molecular Structure of 63980-20-1 (N-ethyldiazenylethanamine)
Formula: C4H11 N3
Molecular Weight: 101.151
Synonyms: 1,3-Diethyltriazene
Density: 0.92g/cm3
Boiling Point: 109.1°C at 760 mmHg
Flash Point: 19.8°C
Safety: Poison by subcutaneous route. Questionable carcinogen with experimental carcinogenic and tumorigenic data. An experimental teratogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 36.75000
LogP: 1.37390
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Chemistry

Molecule structure of Diethyl-triazene (CAS NO.63980-20-1):

IUPAC Name: N-Ethyldiazenylethanamine 
Molecular Weight: 101.15024 g/mol
Molecular Formula: C4H11N3 
Density: 0.92 g/cm3 
Boiling Point: 109.1 °C at 760 mmHg 
Flash Point: 19.8 °C
Index of Refraction: 1.459
Molar Refractivity: 29.76 cm3
Molar Volume: 108.8 cm3
Polarizability: 11.8×10-24 cm3
Surface Tension: 29.2 dyne/cm
Enthalpy of Vaporization: 34.78 kJ/mol
Vapour Pressure: 25.2 mmHg at 25 °C
XLogP3-AA: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 101.095297
MonoIsotopic Mass: 101.095297
Topological Polar Surface Area: 36.8
Heavy Atom Count: 7
Complexity: 50.9
Canonical SMILES: CCNN=NCC
InChI: InChI=1S/C4H11N3/c1-3-5-7-6-4-2/h3-4H2,1-2H3,(H,5,6)
InChIKey of Diethyl-triazene (CAS NO.63980-20-1): LCHNLUYWGSDIDJ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-esc 5 µmol/L

     CRNGDP    Carcinogenesis. 12 (1991),1161.
2.    

scu-rat TDLo:110 mg/kg (15D post):NEO,TER

     XENOBH    Xenobiotica. 3 (1973),271.
3.    

scu-rat LD50:220 mg/kg

     85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,498.

Safety Profile

Poison by subcutaneous route. Questionable carcinogen with experimental carcinogenic and tumorigenic data. An experimental teratogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Diethyl-triazene (CAS NO.63980-20-1) is also named as 1,3-Diethyl-1-triazene ; 1,3-Diethyltriazene ; 1,3-Diethyltriazine ; BRN 5859981 ; CCRIS 6591 ; N,N'-Diethyltriazene .