Basic information
- Standard SMILES
CC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O- InChIKey
UGNIYGNGCNXHTR-UHFFFAOYSA-N- Molecular formula
- C20H21NO4
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.14705815
Names & identifiers
- Preferred name
- N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-valine
- IUPAC
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
- English name
- N-FMOC-(L-VALINE-UL-14C)
- Molecular formula
- C20H21NO4
- Molecular weight
- 349.48
Names & synonyms
Show more names
Database identifiers
- CAS
126727-02-4、140663-39-4、68858-20-8、84624-17-9- PubChem CID
- 100115
- UNII
- BXE5G978FA
- EC Number
- 272-515-0、994-896-9
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Experimental & physicochemical properties
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- form
- ethanol solution
- Hazard Codes
- R
- RIDADR
- 2910 · UN 2910 7
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (5 of 10) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (30%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 5 of 10 reports by companies.;There are 3 notifications provided by 5 of 10 reports by companies with hazard statement code(s).;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 Categories
Skin Irrit. 2 (30%);Eye Irrit. 2A (30%);STOT SE 3 (30%)
Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2910 7
- hazard_code
- R
Chemistry & industry
Uses & manufacturing
Suppliers19 total
Related reactions
Linked notes
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