Completing data — usually done within a minute
Basic information
- CAS
71989-23-6- Standard SMILES
CCC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O- InChIKey
QXVFEIPAZSXRGM-UHFFFAOYSA-N- Molecular formula
- C21H23NO4
- Average molar mass
- 353.4 g/mol
Names & identifiers
- Preferred name
- N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine
- IUPAC
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid
Names & synonyms
EINECS 276-255-9NSC 334289RefChem:823141276-255-9N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-isoleucineN-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-methylpentanoic acid2250198-69-5Fmoc-D-Ile-OH2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylpentanoic acidNSC-334289NSC334289
Show more names
N-alpha-Fmoc-L-isoleucineSCHEMBL1564185FDI-1856-PIFLI-1724-PI2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-pentanoic acid2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acidMFCD01101522AKOS001309880
Database identifiers
- CAS
71989-23-6- PubChem CID
- 100103
- EC Number
- 276-255-9
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 60% (6 of 10) of all reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (20%)
Related reactions
1 records
Compound notes
Loading…