Carbamic acid, (3-oxopropyl)-, 9H-fluoren-9-ylmethyl ester
Completing data — refresh the page later to see the latest
Basic information
- CAS
267410-86-6- Standard SMILES
O=CCCNC(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
QIKCWSXCDBLUCW-UHFFFAOYSA-N- Molecular formula
- C18H17NO3
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.1208434
Names & identifiers
- Preferred name
- Carbamic acid, (3-oxopropyl)-, 9H-fluoren-9-ylmethyl ester
- IUPAC
- 9H-fluoren-9-ylmethyl N-(3-oxopropyl)carbamate
- English name
- Carbamic acid, N-(3-oxopropyl)-, 9H-fluoren-9-ylmethyl ester
- Molecular formula
- C18H17NO3
- Molecular weight
- 295.33
Names & synonyms
267410-86-6Carbamic acid, (3-oxopropyl)-, 9H-fluoren-9-ylmethyl esterDTXSID20461018RefChem:332062DTXCID80411837(9H-fluoren-9-yl)methyl (3-oxopropyl)carbamate9H-fluoren-9-ylmethyl N-(3-oxopropyl)carbamateFmoc-3-aminopropanalMFCD12031772N-(3-Oxopropyl)-carbamic Acid 9H-Fluoren-9-ylmethyl EsterCarbamic acid, N-(3-oxopropyl)-, 9H-fluoren-9-ylmethyl ester1-(Fmoc-amino)-3-oxopropane
Show more names
3-(N-fmoc)aminopropionaldehydeSCHEMBL1893763SCHEMBL7389339SCHEMBL31031847(9H-FLUOREN-9-YL)METHYL N-(3-OXOPROPYL)CARBAMATEQIKCWSXCDBLUCW-UHFFFAOYSA-NSKA41086MFCD28053619
Database identifiers
- CAS
267410-86-6- PubChem CID
- 11277844
- DTXSID
DTXSID20461018- EC Number
- 182-799-7
- Nikkaji
- J1.714.185F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Melting point
- 109 · 109-110 °C
- Boiling point
- 499.8 · 499.8±28.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- pka
- 11.66 · 11.66±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesCarbamic acid, N-(3-oxopropyl)-, 9H-fluoren-9-ylmethyl ester is a useful intermediate in the preparation of muraymycin analogs, which are potential drug candidates and antibacterial agents.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
4 records
Compound notes
Loading…