CAS 33173-55-6 Boc-4-azido-L-phenylalanine (HCID 11243693)

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Basic information

CAS: 33173-55-6
Standard SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])cc1)C(=O)O
InChIKey: PZWGGRIVPTXYGU-NSHDSACASA-N
Molecular formula: C14H18N4O4
Average molar mass: 306.32 g/mol
Monoisotopic mass: 306.13280507

Names & identifiers

Preferred name: Boc-4-azido-L-phenylalanine
IUPAC: (2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
English name: BOC-P-AZIDO-PHE-OH
Molecular formula: C14H18N4O4
Molecular weight: 306.32

Names & synonyms

BOC-4-AZIDO-L-PHENYLALANINE4-Azido-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine4-Azido-N-((1,1-dimethylethoxy)carbonyl)-L-phenylalanineRefChem:569753635-715-233173-55-6Boc-4-azido-Phe-OHBoc-L-4-azidopheBOC-P-AZIDO-PHE-OHMFCD002375704-Azido-N-Boc-L-phenylalanineBoc-4-azido-D-phenylalanine

Show more names

Boc-Phe(N3)-OHBOC-PHE(4-N 3)-OHBoc-L-Phe(4-N3)-OHBOC-PHE(4-AZIDO)-OHBoc-π-azido-L-Phe-OHBoc-L-Phe(4-azido)-OH

(S)-3-(4-Azidophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid(S)-3-(4-azidophenyl)-2-[(tert-butoxycarbonyl)amino]propionic acidBoc-p-azido-l-Phe-OH(2S)-3-(4-azidophenyl)-2-(tert-butoxycarbonylamino)propanoic acidBoc-Phe(4-N3)-OHSCHEMBL14822341PZWGGRIVPTXYGU-NSHDSACASA-N

Database identifiers

CAS: 33173-55-6
PubChem CID: 11243693
DTXSID: DTXSID301199225

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 90 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 446

Physicochemical properties

storage temp.: -15 °C · -15°C
optical activity: 54 · [α]/D 54±8°, c = 1 in chloroform
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.