Boc-amino-acetic acid diethylamide
Basic information
- CAS
500871-60-3- Standard SMILES
CCN(CC)C(=O)CNC(=O)OC(C)(C)C- InChIKey
ZRZSEPNHPXXTKZ-UHFFFAOYSA-N- Molecular formula
- C11H22N2O3
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.16304257
Names & identifiers
- Preferred name
- Boc-amino-acetic acid diethylamide
- IUPAC
- tert-butyl N-[2-(diethylamino)-2-oxoethyl]carbamate
- English name
- Diethylcarbamoylmethyl-carbamic acid tert-butyl ester
- Molecular formula
- C11H22N2O3
- Molecular weight
- 230.3
Names & synonyms
500871-60-3Boc-amino-acetic acid diethylamideDTXSID70326805RefChem:330005DTXCID60277918tert-butyl (2-(diethylamino)-2-oxoethyl)carbamatetert-butyl N-[2-(diethylamino)-2-oxoethyl]carbamateMFCD07366744Diethylcarbamoylmethyl-carbamic acid tert-butylesterDiethylcarbamoylmethyl-carbamic acid tert-butyl estertert-Butyl [2-(diethylamino)-2-oxoethyl]carbamateNSC617253
Show more names
Boc-amino-acetic acid diethylamidDiethylcarbamoylmethyl-carbamic acid tert-butyltert-Butyl N-[(diethylcarbamoyl)methyl]carbamateCarbamic acid, N-[2-(diethylamino)-2-oxoethyl]-, 1,1-dimethylethyl ester
CHEMBL1972927SCHEMBL19981641boc-amino acetic acid diethylamideAKOS015996761FS-5087NSC-617253NCI60_005174DB-264783
Database identifiers
- CAS
500871-60-3- PubChem CID
- 357734
- DTXSID
DTXSID70326805- ChEMBL
CHEMBL1972927- EC Number
- 675-137-8
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 87 · 87-88 °C
- Boiling point
- 343.9 · 343.9±25.0 °C(Predicted)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- pka
- 11.55 · 11.55±0.46(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 311 · H311-H314-H317-H412
- Precautionary statements
- 501 · P501-P261-P273-P272-P264-P280-P361+P364-P303+P361+P353-P333+P313-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310-P405
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H311-H314-H317-H412
- Precautionary statements
- P501-P261-P273-P272-P264-P280-P361+P364-P303+P361+P353-P333+P313-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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