tert-Butoxycarbonyl-tyrosine

HCID 100117

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Basic information

CAS: 142847-18-5
Standard SMILES: CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIKey: CNBUSIJNWNXLQQ-UHFFFAOYSA-N
Molecular formula: C14H19NO5
Average molar mass: 281.3 g/mol

Overview

RN refers to (L)-isomer

Names & identifiers

Preferred name: tert-Butoxycarbonyl-tyrosine
IUPAC: 3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
English name: 2-[(tert-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular formula: C14H19NO5
Molecular weight: 281.3

Names & synonyms

tert-Butoxycarbonyl-tyrosineRefChem:188175Boc-Tyr142847-18-5BOC-DL-Tyrosine2-((tert-Butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoic acidn-boc-dl-tyrosineMFCD001960923-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(4-HYDROXYPHENYL)PROPANOIC ACID2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoic acidBoc-[15N]Tyr-OH

Show more names

N-Boc-DL-tyrosine, 98%(Tert-Butoxy)Carbonyl DL-Tyr-OHN-(tert-Butoxycarbonyl)-DL-tyrosineTyrosine, N-[(1,1-dimethylethoxy)carbonyl]-N-[[(2-Methyl-2-propanyl)oxy]carbonyl]tyrosine2-[(tert-butoxyarbonyl)amino]-3-(4-hydroxyphenyl)propa

Tert-butoxycarbonyl-L-tyrosine2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acidN-((tert-Butoxy)carbonyl)-L-tyrosineN-[(tert-Butoxy)carbonyl]-L-tyrosine87713-11-9NSC-334307N-boc-d,l-tyrosineNSC334307

Database identifiers

CAS: 142847-18-5、3978-80-1
PubChem CID: 100117
UNII: D4SC6ZJL3X
EC Number: 223-613-7

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 95.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 20
Formal charge: 0
Complexity: 342

Physicochemical properties

Boiling point: 484.9 · 484.9±40.0 °C(Predicted)
Density: 1.238 · 1.238±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 2.98 · 2.98±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 37.5% (3 of 8) of reports.

Warning

H315 (62.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (62.5%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501