Chemical Properties of Isoquinoline, 1-(phenylmethyl)- (CAS 6907-59-1)

InChI

InChI=1S/C16H13N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-11H,12H2

InChI Key

IZTUINVRJSCOIR-UHFFFAOYSA-N

Formula

C16H13N

SMILES

c1ccc(Cc2nccc3ccccc23)cc1

Molecular Weight¹

219.28

CAS

6907-59-1

Other Names

• Isoquinoline, 1-benzyl-
• 1-Benzylisoquinoline

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[418.00; 485.20]	K	[0.10; 1.50]
Tboilr	418.00 ± 5.00	K	0.10	NIST
Tboilr	485.20	K	1.50	NIST
Tboilr	485.00 ± 1.00	K	1.50	NIST

Similar Compounds

Find more compounds similar to Isoquinoline, 1-(phenylmethyl)-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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