Benzyl (1-amino-1-oxopropan-2-yl)carbamate
Basic information
- CAS
2503-29-9- Standard SMILES
CC(NC(=O)OCc1ccccc1)C(N)=O- InChIKey
CTZZSWNVVFTJRN-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- Benzyl (1-amino-1-oxopropan-2-yl)carbamate
- IUPAC
- benzyl N-(1-amino-1-oxopropan-2-yl)carbamate
- English name
- N-Cbz-DL-alanine amide
- Molecular formula
- C11H14N2O3
- Molecular weight
- 222.24
Names & synonyms
2503-29-92-(Cbz-amino)propanamideBenzyl (1-amino-1-oxopropan-2-yl)carbamatez-d-alanine amideN-Cbz-DL-alanine amideMFCD00136699benzyl N-(1-amino-1-oxopropan-2-yl)carbamateZ-Ala-NHZ-D-Ala-NHCarbamic acid, N-(2-amino-1-methyl-2-oxoethyl)-, phenylmethyl esterBenzyl (1-amino-1-oxo-2-propanyl)carbamateSCHEMBL591894
Show more names
Phenylmethyl N-(2-amino-1-methyl-2-oxoethyl)carbamate
SCHEMBL5839927CHEMBL5306217DTXSID901212497CARBOBENZYLOXY-DL-ALANINAMIDEAC5728AKOS022183676BS-22128SY021103
Database identifiers
- CAS
2503-29-9- PubChem CID
- 4092845
- DTXSID
DTXSID901212497- ChEMBL
CHEMBL5306217- Nikkaji
- J1.573.826J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 123 °C · 123 °C
- Boiling point
- 443.8 · 443.8±38.0 °C(Predicted)
- Density
- 1.199 · 1.199±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
- HS Code
- 2924297099 · 2924297099
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
- 2924297099
- 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
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Related reactions
1 records
Compound notes
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