Basic information
- CAS
16948-38-2- Standard SMILES
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
RFSVHANJROIWPM-UHFFFAOYSA-N- Molecular formula
- C17H24N2O6
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.16343649
Overview
See other relationships...
Names & identifiers
- Preferred name
- Boc-L-Isoleucine 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
- English name
- Boc-Ile-ONp
- Molecular formula
- C17H24N2O6
- Molecular weight
- 352.38
Names & synonyms
Boc-L-Isoleucine 4-nitrophenyl esterSCHEMBL22137002DTXSID30937638RFSVHANJROIWPM-UHFFFAOYSA-NEINECS 241-020-14-Nitrophenyl N-[tert-butoxy(hydroxy)methylidene]isoleucinatep-Nitrophenyl erythro-N-(tert-butoxycarbonyl)-L-isoleucinateBoc-Ile-ONpBoc-L-Ile-ONpBOC-ISOLEUCINE-ONPBOC-ILE-ONP USP/EP/BPBOC-L-ISOLEUCINE P-NITROPHENYL ESTER
Show more names
Boc-L-isoleucine 4-nitrophenyl ester≥ 98% (TLC)N-tert-Butoxycarbonyl-L-isoleucine 4-nitrophenyl esterN-alpha-t-Butyloxycarbonyl-L-isoleucine p-nitrophenyl ester
Database identifiers
- CAS
16948-38-2- PubChem CID
- 86096
- DTXSID
DTXSID30937638
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- Boiling point
- 487.8 · 487.8±30.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.87 · 10.87±0.46(Predicted)
- form
- powder
- BRN
- 1894884 · 1894884
- Major Application
- peptide synthesis
- InChI
- 1S/C17H24N2O6/c1-6-11(2)14(18-16(21)25-17(3,4)5)15(20)24-13-9-7-12(8-10-13)19(22)23/h7-11,14H,6H2,1-5H3,(H,18,21)/t11-,14-/m0/s1
- InChIKey
- RFSVHANJROIWPM-FZMZJTMJSA-N
- SMILES
- CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Usespeptide synthesis
Suppliers29 total
Aladdin Scientific[email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
Related reactions
0 records
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Compound notes
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