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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86096Generated: November 4, 2026

Boc-L-Isoleucine 4-nitrophenyl ester

Boc-Ile-ONp · Boc-L-Ile-ONp · Einecs 241-020-1 · BOC-ISOLEUCINE-ONP · BOC-ILE-ONP USP/EP/BP · BOC-L-ISOLEUCINE P-NITROPHENYL ESTER · BOC-L-ISOLEUCINE 4-NITROPHENYL ESTER · Boc-L-isoleucine 4-nitrophenyl ester≥ 98% (TLC)

https://huagongshe.com/en/chemical/86096

Boc-L-Isoleucine 4-nitrophenyl ester molecular structure

Identifiers & Physical Properties

CAS No.16948-38-2
Molecular formulaC17H24N2O6
Average molar mass352.4 g/mol
Monoisotopic mass352.16343649 g/mol
SMILESCCC(C)C(NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKeyRFSVHANJROIWPM-UHFFFAOYSA-N
PubChem CID86096
DTXSIDDTXSID30937638

Chemical & Physical Properties

XLogP4
Topological polar surface area110
Hydrogen bond donors1
Hydrogen bond acceptors6
Rotatable bonds8
Heavy atoms25
Formal charge0
Complexity475
Boiling point487.8±30.0 °C(Predicted)
Density1.172±0.06 g/cm3(Predicted)
Storage conditions2-8°C
pKa (acidity coefficient)10.87±0.46(Predicted)
Physical statepowder
BRN1894884
Major applicationspeptide synthesis
InChI1S/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
InChIKeyRFSVHANJROIWPM-FZMZJTMJSA-N
SMILESCC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc(cc1)[N+]([O-])=O
UNSPSC Code12352200
NACRESNA.22
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302
GHS precautionary statementsP280-P305+P351+P338
Personal protective equipment (PPE)Eyeshields, Gloves, type N95 (US)
Water hazard class (WGK)3
F8
Storage class11 - Combustible Solids

Safety & Regulations

F8
Personal protective equipment (PPE)Eyeshields, Gloves, type N95 (US)
Water hazard class (WGK)3
Signal wordWarning
GHS pictogramGHS07
Storage class11 - Combustible Solids
GHS hazard statementsH302
GHS precautionary statementsP280-P305+P351+P338

Applications & Uses

Uses

peptide synthesis