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136587-13-8

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Basic Information
CAS No.: 136587-13-8
Name: SPERMINE NONOATE
Molecular Structure:
Molecular Structure of 136587-13-8 (SPERMINE NONOATE)
Formula: C10H26 N6 O2
Molecular Weight: 262.36
Synonyms: 1,3-Propanediamine,N-[4-[1-(3-aminopropyl)-2-hydroxy-2-nitrosohydrazino]butyl]- (9CI); SPER/NO;Spermine NONOate; Spermine bis(NO?á) adduct
Density: 1.23 g/cm3
Melting Point: 105-107℃
Boiling Point: 425.4 °C at 760 mmHg
Flash Point: 211.1 °C
Solubility: Readily Soluble in Water.
Appearance: White Crystalline Solid
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 120.21000
LogP: 1.43490
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Chemistry

Molecule structure of Spermine nitric oxide complex (CAS NO.136587-13-8) :

IUPAC Name: N-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-N-hydroxynitrous amide 
Molecular Weight: 262.35244 g/mol
Molecular Formula: C10H26N6O2 
Density: 1.23 g/cm3 
Melting Point: 105-107 °C
Storage Temp.: -20 °C
Boiling Point: 425.4 °C at 760 mmHg 
Flash Point: 211.1 °C
Index of Refraction: 1.553
Molar Refractivity: 68.18 cm3
Molar Volume: 212.8 cm3
Polarizability: 27.03×10-24 cm3
Surface Tension: 52.8 dyne/cm 
Enthalpy of Vaporization: 78.54 kJ/mol
Vapour Pressure: 5.07E-09 mmHg at 25 °C
XLogP3-AA: -0.9
H-Bond Donor: 4
H-Bond Acceptor: 8
Rotatable Bond Count: 12
Exact Mass: 262.211724
MonoIsotopic Mass: 262.211724
Topological Polar Surface Area: 120
Heavy Atom Count: 18
Complexity: 195
Canonical SMILES: C(CCN(CCCN)N(N=O)O)CNCCCN
InChI: InChI=1S/C10H26N6O2/c11-5-3-8-13-7-1-2-9-15(10-4-6-12)16(18)14-17/h13,18H,1-12H2
InChIKey: QPIOUFBAROSIAN-UHFFFAOYSA-N
Product Categories: Nitric Oxide Reagents; Amines

Uses

 Spermine nitric oxide complex (CAS NO.136587-13-8) is used as a reagent which releases Nitric Oxide into aqueous solutions at controlled rates for in vitro studies.

Toxicity Data With Reference

1.    

slt-esc 1000 µLg/plate/2D

     MUREAV    Mutation Research. 497 (2001),159.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.

Specification

 Spermine nitric oxide complex (CAS NO.136587-13-8) is also called CCRIS 4091 ; Spermine/nitric oxide complex ; 1,3-Propanediamine, N-(4-(1-(3-aminopropyl)-2-hydroxy-2-nitrosohydrazino)butyl)-N-(4-(1-(3-Aminopropyl)-2-hydroxy-2-
nitrosohydrazino)butyl)- ; N-(4-(1-(3-Aminopropyl)-2-hydroxy-2-nitrosohydrazino)butyl)-1,3-propanediamine . Spermine nitric oxide complex (CAS NO.136587-13-8) is off white solid.