CAS 13650-49-2 (2S)-2-amino-5-(((tert-butoxy)carbonyl)amino)pentanoic acid (HCID 6993436)

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Basic information

CAS: 13650-49-2
Standard SMILES: CC(C)(C)OC(=O)NCCC[C@H](N)C(=O)O
InChIKey: GLZZMUULAVZVTA-ZETCQYMHSA-N
Molecular formula: C10H20N2O4
Average molar mass: 232.28 g/mol
Monoisotopic mass: 232.14230712

Names & identifiers

Preferred name: (2S)-2-amino-5-(((tert-butoxy)carbonyl)amino)pentanoic acid
IUPAC: (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
English name: N-δ-Boc-L-Ornithine
Molecular formula: C10H20N2O4
Molecular weight: 232.28

Names & synonyms

(2S)-2-amino-5-{[(tert-butoxy)carbonyl]amino}pentanoic acid(2S)-2-amino-5-(((tert-butoxy)carbonyl)amino)pentanoic acidRefChem:398340841-127-913650-49-2H-Orn(Boc)-OHBoc-L-Orn-OH(S)-2-Amino-5-((tert-butoxycarbonyl)amino)pentanoic acidNdelta-Boc-L-ornithineL-Ornithine, N5-[(1,1-dimethylethoxy)carbonyl]-MFCD00037219Ndelta -Boc-ornithine

Show more names

Orn(Boc)H-L-ORN(BOC)-OHNSC 164054H-LYS-B-ALA-OBZLORNITHINE(BOC)-OHH-Orn(Boc)-OH,97%N5-Boc-L-ornithineH-ORN(BOC)-OH 98%

(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acidN-delta-Boc-L-OrnithineDTXSID90426356(S)-2-Amino-5-((tert-butoxycarbonyl)-amino)pentanoic acidN-alpha-t-BOC-L-ORNITHINENdelta-Boc-ornithineN5-(tert-butoxycarbonyl)-L-ornithineH-Orn(Boc)

Database identifiers

CAS

Properties

Computed structural properties

XLogP: -2.3
Topological polar surface area: 102 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 16
Formal charge: 0
Complexity: 248

Physicochemical properties

Melting point: 218 · 218-219℃
Boiling point: 401.5 · 401.5±40.0 °C(Predicted)
Density: 1.135 · 1.135
storage temp.: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
pka: 2.51 · 2.51±0.24(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
WGK Germany: 3 · 3
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 2924297099
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications · 1 item

UsesN-δ-Boc-L-Ornithine is a boc-protected analogue of L-Orthinine (O695550), a non essential amino acid and intermediate in arginine biosynthesis. N-δ-Boc-L-Ornithine is used as an intermediate in the preparation of the protein arginine deiminase (PAD) inhibitor F-Amidine (F101250).