BOC-(S)-2-TETRAHYDROISOQUINOLINE ACETIC ACID
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BOC-(S)-2-TETRAHYDROISOQUINOLINE ACETIC ACID
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CAS No:
270062-98-1
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Formula:
C16H21NO4
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Chemical Name:
BOC-(S)-2-TETRAHYDROISOQUINOLINE ACETIC ACID
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Synonyms:
N-T-BUTOXYCARBONYL-(S)-2-TETRAHYDROISOQUINOLINE ACETIC ACID;BOC-TIC-(C*CH2)OH;BOC-TQA-OH;BOC-(S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-ACETIC ACID;BOC-(S)-2-TETRAHYDROISOQUINOLINE ACETIC ACID;N-(tert-Butoxycarbonyl)-(S)-1,2,3,4-tetrahydroisoquinoline-3-acetic acid;2-[(1S)-1-[(tert-butoxy)carbonyl]-decahydroisoquinolin-1-yl]acetic acid;(S)-2-(2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)acetic acid
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CAS No:
BOC-(S)-2-TETRAHYDROISOQUINOLINE ACETIC ACID Basic Attributes
291.34
291.147064
DTXSID80375844
2933499090
Characteristics
66.8
2.49
1.2±0.1 g/cm3
454.5±38.0 °C at 760 mmHg
228.7±26.8 °C
1.542
4.73E-09mmHg at 25°C
Safety Information
IRRITANT
25-50
45-61
T,N
|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:291.34
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:291.14705815
Monoisotopic Mass:291.14705815
Topological Polar Surface Area:66.8
Heavy Atom Count:21
Complexity:402
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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BOC-(S)-2-TETRAHYDROISOQUINOLINE ACETIC ACID
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