Benzyl N-[(propylcarbamoyl)methyl]carbamate
Basic information
- CAS
21855-74-3- Standard SMILES
CCCNC(=O)CNC(=O)OCc1ccccc1- InChIKey
QMBZADXMDCJNAR-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- Benzyl N-[(propylcarbamoyl)methyl]carbamate
- IUPAC
- benzyl N-[2-oxo-2-(propylamino)ethyl]carbamate
- English name
- Benzyl N-[(propylcarbaMoyl)Methyl]carbaMate
- Molecular formula
- C13H18N2O3
- Molecular weight
- 250.29
Names & synonyms
Benzyl N-[(propylcarbamoyl)methyl]carbamate21855-74-3benzyl N-[2-oxo-2-(propylamino)ethyl]carbamatebenzyl [2-oxo-2-(propylamino)ethyl]carbamateCbz-Glycine-propylamideSCHEMBL14542740DTXSID40398397MFCD00820064STK671552AKOS005592680BS-27839ST032003
Show more names
Z-Gly-Carbamic acid, [2-oxo-2-(propylamino)ethyl]-, phenylmethyl ester (9CI)
BenzylN-[(propylcarbamoyl)methyl]carbamateCS-02051012-[(phenylmethoxy)carbonylamino]-N-propylacetamideSR-01000512380SR-01000512380-1
Database identifiers
- CAS
21855-74-3- PubChem CID
- 3986381
- DTXSID
DTXSID40398397
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 103 · 103-104 °C
- Boiling point
- 473.2 · 473.2±38.0 °C(Predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- pka
- 11.17 · 11.17±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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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