4-N-BOC-AMINO-4-CARBOXYTETRAHYDROTHIOPYRAN
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4-N-BOC-AMINO-4-CARBOXYTETRAHYDROTHIOPYRAN
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CAS No:
108329-81-3
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Formula:
C11H19NO4S
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Chemical Name:
4-N-BOC-AMINO-4-CARBOXYTETRAHYDROTHIOPYRAN
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Synonyms:
4-N-(TERT-BUTOXYCARBONYL)-AMINO-4-CARBOXYTETRAHYDROTHIOPYRAN;4-N-BOC-AMINO-4-CARBOXYTETRAHYDROTHIOPYRAN;4-[(TERT-BUTOXYCARBONYL)AMINO]TETRAHYDRO-2H-THIOPYRAN-4-CARBOXYLIC ACID;4-TERT-BUTOXYCARBONYLAMINO-TETRAHYDRO-THIOPYRAN-4-CARBOXYLIC ACID;4-(BOC-AMINO)TETRAHYDROTHIOPYRAN-4-CARBOXYLIC ACID;4-N-BOC-AMINO-4-CARBOXYTETRAHYDROTHIOPYRAN 95%;4-N-BOC-Amino-4-carboxytetrahydrothiopyran,95%;2-((tert-butoxycarbonyl)amino)tetrahydro-2H-thiopyran-4-carboxylic acid
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CAS No:
4-N-BOC-AMINO-4-CARBOXYTETRAHYDROTHIOPYRAN Basic Attributes
261.34
261.10300
DTXSID70361473
2934999090
Characteristics
101
2.25240
1.2508 (rough estimate)
170-174 °C
435.7±45.0 °C(Predicted)
217.3ºC
1.5500 (estimate)
Safety Information
NONH for all modes of transport
3
36/37/38
37/39-26
Xi
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:261.34
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:261.10347926
Monoisotopic Mass:261.10347926
Topological Polar Surface Area:101
Heavy Atom Count:17
Complexity:305
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-N-BOC-AMINO-4-CARBOXYTETRAHYDROTHIOPYRAN
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