109960-13-6

109960-13-6 structure

109960-13-6 structure

Name: N-butan-2-yl-1-(2-chlorophenyl)-N-(2-isothiocyanatoethyl)isoquinoline-3-carboxamide
Chemical Name: N-butan-2-yl-1-(2-chlorophenyl)-N-(2-isothiocyanatoethyl)isoquinoline-3-carboxamide
CAS Number: 109960-13-6
Molecular Formula: C₂₃H₂₂ClN₃OS
Molecular Weight: 423.95800
Create Date: 2016-12-24 07:20:47
Modify Date: 2023-01-10 17:08:27

Name	N-butan-2-yl-1-(2-chlorophenyl)-N-(2-isothiocyanatoethyl)isoquinoline-3-carboxamide
Synonyms	3-Isoquinolinecarboxamide,1-(2-chlorophenyl)-N-(2-isothiocyanatoethyl)-N-(1-methylpropyl)-,(+-) (+/-)-1-(2-chlorophenyl)-N-(1-methylpropyl)-N-(2-isothicyanatoethyl)-3-isoquinolinecarboxamide 1-(2-Chlorophenyl)-N-ethylisothiocynato-N-(1-methylpropyl)-3-isoquinolinecarboxamide Ahn 070

Density	1.2g/cm3
Boiling Point	605.6ºC at 760mmHg
Molecular Formula	C₂₃H₂₂ClN₃OS
Molecular Weight	423.95800
Flash Point	320ºC
Exact Mass	423.11700
PSA	77.65000
LogP	5.89870
Vapour Pressure	1.3E-14mmHg at 25°C
Index of Refraction	1.62

463-71-8 structure

463-71-8

109960-12-5 structure

109960-12-5

~86%

109960-13-6 structure

109960-13-6

Literature: Newman; Lueddens; Skolnick; Rice Journal of Medicinal Chemistry, 1987 , vol. 30, # 10 p. 1901 - 1905

Precursor 2
463-71-8 109960-12-5
DownStream 0