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TERT-BUTYL6-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE

TERT-BUTYL6-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE structure

CAS No:
158984-83-9
Formula:
C14H19NO3
Chemical Name:
TERT-BUTYL6-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
Synonyms:
TERT-BUTYL 6-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE;6-HYDROXY-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER;5-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate;N-BOC-6-HYDROXY-3,4-DIHYDRO-ISOQUINOLINE;6-hydroxy-2-N-Boc-3,4-dihydroisoquinoline;tert-Butyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate;tert-butyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate 95+%
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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TERT-BUTYL6-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE Basic Attributes

Molecular Weight：

249.31

Exact Mass：

249.13649347

DSSTox ID：

DTXSID90434971

HScode：

2933499090

Characteristics

PSA：

49.77000

XLogP3：

2.62330

Density：

1.170±0.06 g/cm3

Melting Point：

110-111.5 °C

Boiling Point：

391.4±42.0 °C(Predicted)

Flash Point：

190.5ºC

Refractive Index：

1.558

Vapor Pressure：

0mmHg at 25°C

PKA：

9.79±0.20

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:249.30
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:249.13649347
Monoisotopic Mass:249.13649347
Topological Polar Surface Area:49.8
Heavy Atom Count:18
Complexity:311
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 158984-83-9

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Guide of TERT-BUTYL6-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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