tert-butyl N-(1-cyanoethyl)carbamate
Basic information
- CAS
141041-80-7- Standard SMILES
CC(C#N)NC(=O)OC(C)(C)C- InChIKey
RPKPFOKNXKRFTD-UHFFFAOYSA-N- Molecular formula
- C8H14N2O2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.10552769
Names & identifiers
- Preferred name
- tert-butyl N-(1-cyanoethyl)carbamate
- IUPAC
- tert-butyl N-(1-cyanoethyl)carbamate
- English name
- Carbamic acid, (1-cyanoethyl)-, 1,1-dimethylethyl ester (9CI)
- Molecular formula
- C8H14N2O2
- Molecular weight
- 170.21
Names & synonyms
tert-butyl N-(1-cyanoethyl)carbamate141041-80-7tert-butyl (1-cyanoethyl)carbamateMFCD12792276Carbamic acid, (1-cyanoethyl)-, 1,1-dimethylethyl ester (9CI)tert-Butyl 1-cyanoethylcarbamateBoC-L-Ala-nitrile2-(Boc-amino)-propanenitrile1-(Boc-amino)-1-cyanoethaneSCHEMBL1164016t-Butyl (1-cyanoethyl)carbamatetert-butyl(1-cyanoethyl)carbamate
Show more names
N-(tert-Butyloxycarbonyl)-DL-alaninnitril(1-Cyanoethyl)carbamic acid tert-butyl esterCarbamic acid, N-(1-cyanoethyl)-, 1,1-dimethylethyl ester
RPKPFOKNXKRFTD-UHFFFAOYSA-NRFA04180AKOS010355368SB46782BS-27329DB-058531DB-062719DB-063359
Database identifiers
- CAS
141041-80-7- PubChem CID
- 545846
- EC Number
- 189-541-2
- Nikkaji
- J1.468.896J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 277 ℃ · 277℃
- Density
- 1.021 · 1.021
- Flash point
- 121 ℃ · 121℃
- pka
- 10.14 · 10.14±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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