3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
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3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
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CAS No:
41994-51-8
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Formula:
C10H11NO2.ClH
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Chemical Name:
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
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Synonyms:
3-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-,hydrochloride (1:1);3-Isoquinolinecarboxylic acid,1,2,3,4-tetrahydro-,hydrochloride;1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride;3-Carboxy-1,2,3,4-tetrahydroisoquinoline hydrochloride;100486-32-6
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CAS No:
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, hydrochloride (1:1) Basic Attributes
177.2
308.133209
255-610-1
2933499090
Characteristics
49.3
1.11430
white to off-white crystalline powder
1.225g/cm3
305 °C (decomp)
372ºC at 760mmHg
178.8ºC
Safety Information
3
36/37/38
26-36
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:213.66
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:213.0556563
Monoisotopic Mass:213.0556563
Topological Polar Surface Area:49.3
Heavy Atom Count:14
Complexity:205
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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