Diethyl N-(tert-Butoxycarbonyl)phosphoramidate
Basic information
- CAS
85232-02-6- Standard SMILES
CCOP(=O)(NC(=O)OC(C)(C)C)OCC- InChIKey
MJJRHRHTDZXUKY-UHFFFAOYSA-N- Molecular formula
- C9H20NO5P
- Average molar mass
- 253.23 g/mol
- Monoisotopic mass
- 253.10790974
Names & identifiers
- Preferred name
- Diethyl N-(tert-Butoxycarbonyl)phosphoramidate
- IUPAC
- tert-butyl N-diethoxyphosphorylcarbamate
- English name
- N-(tert-Butoxycarbonyl)phosphoramidic acid diethyl ester
- Molecular formula
- C9H20NO5P
- Molecular weight
- 253.23
Names & synonyms
Diethyl N-(tert-Butoxycarbonyl)phosphoramidateRefChem:587251678-028-385232-02-6N-(tert-Butoxycarbonyl)phosphoramidic Acid Diethyl EsterTert-butyl N-diethoxyphosphorylcarbamateDiethyl N-Boc-phosphoramidateMFCD00015667N-Boc-phosphoramidic Acid Diethyl Estertert-butyl N-(diethoxyphosphoryl)carbamateCS-WAA0080SCHEMBL14819108
Show more names
ButoxycarbonylphosphoramidicaciddiethylesterDiethyl N-(tert-Butoxycarbonyl)phosphoramidate >N-(tert-Butoxycarbonyl)phosphoramidic acid diethyl esterCarbamic acid, N-(diethoxyphosphinyl)-, 1,1-dimethylethyl ester
DTXSID80431616AKOS015838165tert-Butyl (diethoxyphosphoryl)carbamateAS-69055CS-0035353C9H20NO5PFT-0702094Diethyl Boc-phosphoramidate
Database identifiers
- CAS
85232-02-6- PubChem CID
- 9837914
- DTXSID
DTXSID80431616- EC Number
- 678-028-3
- Nikkaji
- J1.629.959F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 70 °C · 70 °C
- Density
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 8.3 · 8.30±0.46(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
- 2931.9 · 2931.90.9051
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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%)
Safety data
- hs_code
- 2931.90.9051
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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