Molecular Structure of 5H-Cyclopentapyrazine,6,7-dihydro-5-methyl- (CAS NO.23747-48-0):
IUPAC Name: 5-Methyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
Canonical SMILES: CC1CCC2=NC=CN=C12
InChI: InChI=1S/C8H10N2/c1-6-2-3-7-8(6)10-5-4-9-7/h4-6H,2-3H2,1H3
InChIKey: YZEFQPIMXZVPKP-UHFFFAOYSA-N
Molecular Weight: 134.1784 [g/mol]
Molecular Formula: C8H10N2
XLogP3-AA: 0.8
H-Bond Donor: 0
H-Bond Acceptor: 2
EINECS: 245-864-1
Index of Refraction: 1.541
Molar Refractivity: 39.31 cm3
Molar Volume: 124.9 cm3
Surface Tension: 43.6 dyne/cm
Density: 1.073 g/cm3
Flash Point: 78.9 °C
Enthalpy of Vaporization: 42.77 kJ/mol
Boiling Point: 209.6 °C at 760 mmHg
Vapour Pressure: 0.291 mmHg at 25 °C
Appearance: clear yellow to yellow-orange to brown liquid
FEMA: 3306
Water Solubility: insoluble
Product Categories: Alphabetical Listings; Flavors and Fragrances; M-N
Safety Information of 5H-Cyclopentapyrazine,6,7-dihydro-5-methyl- (CAS NO.23747-48-0):
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
5H-Cyclopentapyrazine,6,7-dihydro-5-methyl- (CAS NO.23747-48-0), its Synonyms are 5-Methyl-6,7-dihydro-5H-cyclopentapyrazine ; 5H-5-Methyl-6,7-dihydrocyclopenta(b)pyrazine ; 5H-5-Methyl-6,7-dihydrocyclopentapyrazine ; 6,7-Dihydro-5-methyl-5H-cyclopentapyrazine .
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