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Basic information
- CAS
2188-18-3- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)O- InChIKey
OZSSOVRIEPAIMP-ZETCQYMHSA-N- Molecular formula
- C11H21N5O6
- Average molar mass
- 319.31 g/mol
- Monoisotopic mass
- 319.14918341
Names & identifiers
- Preferred name
- L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-
- IUPAC
- (2S)-5-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
- English name
- N-Boc-N'-nitro-L-arginine
- Molecular formula
- C11H21N5O6
- Molecular weight
- 319.31
Names & synonyms
Boc-L-NitroarginineQKQ9PP5RVEEINECS 218-580-0DTXSID50883805L-Ornithine, N2-((1,1-dimethylethoxy)carbonyl)-N5-(imino(nitroamino)methyl)-L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-N2-((1,1-Dimethylethoxy)carbonyl)-N5-(imino(nitroamino)methyl)-L-ornithineN2-TERT-BUTOXYCARBONYL-NG-NITROARGININEN.ALPHA.-TERT-BUTOXYCARBONYL-NG-NITRO-L-ARGININEORNITHINE, N2-CARBOXY-N5-(NITROAMIDINO)-, N2-TERT-BUTYL ESTER, L-(2S)-2-(TERT-BUTOXYCARBONYLAMINO)-5-((N-NITROCARBAMIMIDOYL)AMINO)PENTANOIC ACID(2S)-5-((AMINO(IMINO)METHYL)AMINO)-2-(1-(TERT-BUTOXYCARBONYL)-2-OXIDO-2-OXOHYDRAZINO)PENTANOIC ACID
Show more names
BOC-ARG(NO2)Boc-Arg(NO)-OHboc-arg(n02)-ohBOC-L-ARG(NO2)-OHBOC-NITRO-ARGININENα-Boc-Nω-nitro-L-arBOC-ARGININE(NO2)-OHAgatraban impurity 2
N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-L-ornithineRefChem:201408DTXCID001023291NALPHA-TERT-BUTOXYCARBONYL-NG-NITRO-L-ARGININE218-580-0Boc-Arg(NO2)-OH2188-18-3n-boc-n'-nitro-l-arginine
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Melting point
- 111 · 111-113 °C
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Sparingly), Methanol (Slightly, Heated)
- pka
- 3.84 · 3.84±0.50(Predicted)
- form
- Solid
- color
- White to Off-White
- BRN
- 2015163 · 2015163
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)/t7-/m0/s1
- InChIKey
- OZSSOVRIEPAIMP-ZETCQYMHSA-N
- SMILES
- C(O)(=O)[C@H](CCCNC(=N)N[N+]([O-])=O)NC(OC(C)(C)C)=O
- CAS DataBase Reference
- 2188 · 2188-18-3(CAS DataBase Reference)
- FDA UNII
- 9 PP5RVE · QKQ9PP5RVE
- EPA Substance Registry System
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H336 (33.3%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
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 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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；STOT SE 3 (66.7%)；STOT SE 3 (33.3%)
Safety data
- F
- 10
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 2921490090
- risk_code
- 36/37/38-67-19
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationL-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-: INACTIVE
Applications
UsesBoc-L-Nitroarginine, can be used in peptide chemistry. It has been also shown to act as NO synthase inhibitor, and thus used in the study of The effects of methylene blue (MB) for treatment of sepsis induced by bowel perforation.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
成都傲飞生物化学品有限责任公司
Related reactions
1 records
Compound notes
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