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54004-38-5

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Basic Information
CAS No.: 54004-38-5
Name: 7-methylisoquinoline
Article Data: 4
Molecular Structure:
Molecular Structure of 54004-38-5 (7-methylisoquinoline)
Formula: C10H9 N
Molecular Weight: 143.188
Synonyms: 7-Methylisoquinoline
EINECS: 258-913-7
Density: 1.076g/cm3
Melting Point: 67-68 °C
Boiling Point: 245.7°Cat760mmHg
Flash Point: 99.7°C
PSA: 12.89000
LogP: 2.54320
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Chemistry

Molecular Structure of 7-Methylisoquinoline (CAS No.54004-38-5):

Molecular Formula: C10H9N
Molecular Weight: 143.18
CAS No: 54004-38-5
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 12.89 Å2
Index of Refraction: 1.624
Molar Refractivity: 47.01 cm3
Molar Volume: 133 cm3
Surface Tension: 44.1 dyne/cm
Density: 1.076 g/cm3
Flash Point: 99.7 °C
Enthalpy of Vaporization: 46.33 kJ/mol
Boiling Point: 245.7 °C at 760 mmHg
Vapour Pressure: 0.0443 mmHg at 25°C
Product Categories: Isoquinoline Derivertives
IUPAC Name: 7-Methylisoquinoline 
Canonical SMILES: CC1=CC2=C(C=C1)C=CN=C2
InChI: InChI=1S/C10H9N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-7H,1H3
InChIKey: GYVUMHXXXAATFQ-UHFFFAOYSA-N