L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-

HCID 77857

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Basic information

CAS: 13734-34-4
Standard SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIKey: ZYJPUMXJBDHSIF-NSHDSACASA-N
Molecular formula: C14H19NO4
Average molar mass: 265.3 g/mol
Monoisotopic mass: 265.13140809

Names & identifiers

Preferred name: L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-
IUPAC: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid

Names & synonyms

N-(tert-Butoxycarbonyl)-L-phenylalanineN-t-Butyloxycarbonyl-L-phenylalanineN-tert-Butyloxycarbonyl-L-phenylalanineL-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-NSC 111172EINECS 237-305-5N-(tert-Butoxycarbonyl)phenylalanineAlanine, N-carboxy-3-phenyl-, N-tert-butyl ester, L-DTXSID90884634L-Phenylalanine, N-((1,1-dimethylethoxy)carbonyl)-N-((1,1-Dimethylethoxy)carbonyl)-N-L-phenylalanineN-[(1,1-Dimethylethoxy)carbonyl]-N-L-phenylalanine

Show more names

RefChem:797353DTXCID701024064Alanine, N-carboxy-3-phenyl-, N-tert-butyl ester, L-(8CI)237-305-513734-34-4Boc-Phe-OHBoc-L-phenylalanineBoc-phenylalanine

Database identifiers

CAS: 13734-34-4
PubChem CID: 77857
DTXSID: DTXSID90884634
ChEMBL: CHEMBL1222330
EC Number: 237-305-5
Nikkaji: J124.089G

Properties

Computed structural propertiesFilling in

XLogP: 2.2
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 316

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 30% (3 of 10) of reports.

Warning

H302 (30%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.