(3S)-2-CARBOBENZOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
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(3S)-2-CARBOBENZOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
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CAS No:
79261-58-8
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Formula:
C18H17NO4
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Chemical Name:
(3S)-2-CARBOBENZOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
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Synonyms:
(S)-(+)-N-CBZ-1,2,3,4-TERTRAHYDRO ISOQUINOLINE-3-CARBOXYLIC ACID;N-ALPHA-CARBOBENZOXY-L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID;(3S)-2-CARBOBENZOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID;(3S)-2-CBZ-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID;(S)-(+)-2-(BENZYLOXYCARBONYL)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID;(3S)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;CBZ-L-7-HYDROXY-(3S)-2-CARBOBENZOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID;Z-L-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
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CAS No:
(3S)-2-CARBOBENZOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID Basic Attributes
311.33
311.11600
White to pale yellow
29334900
Characteristics
66.8
2.8
White to pale yellow Solid
1.2626 (rough estimate)
137-141 °C
451.38°C (rough estimate)
269.8ºC
23.5 ° (C=2, MeOH)
Store at 0-5°C
3.86±0.20(Predicted)
Sealed in dry,Room Temperature
Safety Information
Xi
37/39-26-36-36/37/39
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
36/37/38
|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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(3S)-2-CARBOBENZOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID Use and Manufacturing
(3S)-2-Carbobenzoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid is a reagent in the preparation of antibacterial studies of peptide deformylase inhibitor BB-3497 and its P2’ and P3’ analogs.
Computed Properties
Molecular Weight:311.3
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:311.11575802
Monoisotopic Mass:311.11575802
Topological Polar Surface Area:66.8
Heavy Atom Count:23
Complexity:433
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(3S)-2-CARBOBENZOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
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