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23181-80-8

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Basic Information
CAS No.: 23181-80-8
Name: 7-aminoheptanenitrile
Article Data: 8
Molecular Structure:
Molecular Structure of 23181-80-8 (7-aminoheptanenitrile)
Formula: C7H14 N2
Molecular Weight: 126.202
Synonyms: 7-Aminoheptanenitrile;7-Aminoheptanonitrile
Density: 0.894g/cm3
Boiling Point: 242.8°C at 760 mmHg
Flash Point: 100.6°C
Hazard Symbols: Moderately toxic by ingestion.
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
PSA: 49.81000
LogP: 2.11948
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Chemistry

7-Aminoheptanenitrile( 23181-80-8) is also named as 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-;5-(1-methylethyl)-5-(2-propenyl)-2,4,6(1h,3h,5h)-pyrimidinetrione;5-Allyl-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione;5-Allyl-5-isopropylbarbiturate;5-Allyl-5-isopropylbarbituric acid;5-allyl-5-isopropyl-barbituricaci;5-allyl-5-isopropylbarbituricacid;5-Isopropyl-5-allylbarbituric acid,and so on.

CAS: 23181-80-8
Molecular Weight: 126.19946 [g/mol]
Molecular Formula: C7H14N2
Molecular structure:
XLogP3-AA: 0.6
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 5
Exact Mass: 126.115698
MonoIsotopic Mass: 126.115698
Topological Polar Surface Area: 49.8
Heavy Atom Count: 9
Formal Charge: 0
Complexity: 90.3
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 0
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 1
Index of Refraction: 1.449 
Molar Refractivity: 37.92 cm3 
Molar Volume: 141.1 cm3 
Polarizability: 15.03 10-24cm3 
Surface Tension: 36.9 dyne/cm 
Density: 0.894 g/cm3 
Flash Point: 100.6 °C 
Enthalpy of Vaporization: 47.98 kJ/mol 
Boiling Point: 242.8 °C at 760 mmHg 
Vapour Pressure: 0.0333 mmHg at 25°C

Uses

7-Aminoheptanenitrile( 23181-80-8) is commonly usesd as organic reagents,pharmarceutical materials and so on.

Toxicity Data With Reference

1.   

orl-rat LDLo:500 mg/kg

   JPETAB    Journal of Pharmacology and Experimental Therapeutics. 90 (1947),260.

RTECS:  MJ1200000

Safety Profile

7-Aminoheptanenitrile( 23181-80-8) is moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.