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65229-18-7

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Basic Information
CAS No.: 65229-18-7
Name: d-N,N′-(1-YDROXYMETHYLPROPYL)ETHYL-ENEDINITROSAMINE
Molecular Structure:
Molecular Structure of 65229-18-7 (d-N,N′-(1-YDROXYMETHYLPROPYL)ETHYL-ENEDINITROSAMINE )
Formula: C10H22N4O4
Molecular Weight: 262.36
Safety: Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.
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  • N-(4-hydroxybutyl)-N-[2-[4-hydroxybutyl(nitroso)amino]ethyl]nitrousamide

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Chemistry

Molecule structure of d-N,N'-(1-Hydroxymethylpropyl)ethylenedinitrosamine (CAS NO.65229-18-7) :

IUPAC Name: N-(4-hydroxybutyl)-N-[2-[4-hydroxybutyl(nitroso)amino]ethyl]nitrous amide 
Molecular Weight: 262.30608 g/mol
Molecular Formula: C10H22N4O4 
Density: 1.22 g/cm3
Boiling Point: 542.6 °C at 760 mmHg 
Flash Point: 281.9 °C
Index of Refraction: 1.53
Molar Refractivity: 66.06 cm3
Molar Volume: 213.8 cm3
Polarizability: 26.18*10-24 cm3
Surface Tension: 50.8 dyne/cm 
Enthalpy of Vaporization: 94.37 kJ/mol
Vapour Pressure: 4.91E-14 mmHg at 25 °C
XLogP3-AA: 0.2
H-Bond Donor: 2
H-Bond Acceptor: 8
Rotatable Bond Count: 11
Exact Mass: 262.164105
MonoIsotopic Mass: 262.164105
Topological Polar Surface Area: 106
Heavy Atom Count: 18
Complexity: 196
Canonical SMILES: C(CCO)CN(CCN(CCCCO)N=O)N=O
InChI: InChI=1S/C10H22N4O4/c15-9-3-1-5-13(11-17)7-8-14(12-18)6-2-4-10-16/h15-16H,1-10H2
InChIKey of d-N,N'-(1-Hydroxymethylpropyl)ethylenedinitrosamine (CAS NO.65229-18-7) : BEFMURMSGOWDCN-UHFFFAOYSA-N

Safety Profile

Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx. See also NITROSAMINES.

Specification

 d-N,N'-(1-Hydroxymethylpropyl)ethylenedinitrosamine (CAS NO.65229-18-7) is also called 2,2'-(Ethylenebis(nitrosoimino))bisbutanol ; Ddeta ; d-N,N'-(1-Idrossimetil propil)-etilendinitrosamina [Italian] ;Butanol, 2,2'-(ethylenebis(nitrosoimino))bis- .