CAS No.3230-65-7,3,4-DIHYDROISOQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3230-65-7
Name:	3,4-DIHYDROISOQUINOLINE
Article Data:	108

Formula:	C₉H₉N
Molecular Weight:	131.177
Synonyms:	NSC 3007;
EINECS:	221-769-0
Density:	1.05 g/cm³
Melting Point:	251-254℃
Boiling Point:	241.8 °C at 760 mmHg
Flash Point:	91.6 °C
Hazard Symbols:	T
Risk Codes:	22-24-36/38
Safety:	26-36/37-45
PSA:	12.36000
LogP:	1.09720

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Specification

The CAS register number of Isoquinoline,3,4-dihydro- is 3230-65-7. It also can be called as G 1616 and the IUPAC name about this chemical is 3,4-dihydroisoquinoline. The molecular formula about this chemical is C₉H₉N and the molecular weight is 131.17.

Physical properties about Isoquinoline,3,4-dihydro- are: (1)ACD/LogP: 1.89; (2)ACD/LogD (pH 5.5): 1.43; (3)ACD/LogD (pH 7.4): 1.88; (4)ACD/BCF (pH 5.5): 5.62; (5)ACD/BCF (pH 7.4): 15.65; (6)ACD/KOC (pH 5.5): 88.92; (7)ACD/KOC (pH 7.4): 247.65; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.36Å²; (10)Index of Refraction: 1.587; (11)Molar Refractivity: 41.97 cm³; (12)Molar Volume: 124.8 cm³; (13)Polarizability: 16.64x10^-24cm³; (14)Surface Tension: 38.9 dyne/cm; (15)Flash Point: 91.6 °C; (16)Enthalpy of Vaporization: 45.93 kJ/mol; (17)Boiling Point: 241.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0548 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N\2=C\c1c(cccc1)CC/2
(2)InChI: InChI=1/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,7H,5-6H2
(3)InChIKey: NKSZCPBUWGZONP-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,7H,5-6H2
(5)Std. InChIKey: NKSZCPBUWGZONP-UHFFFAOYSA-N