(2R)-3-azaniumyl-2-(phenylmethoxycarbonylamino)propanoate
Basic information
- CAS
62234-37-1- Standard SMILES
[NH3+]C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]- InChIKey
FOXRXVSTFGNURG-SECBINFHSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Overview
See also: 3-Amino-N-((phenylmethoxy)carbonyl)-D-alanine (preferred).
Names & identifiers
- Preferred name
- (2R)-3-azaniumyl-2-(phenylmethoxycarbonylamino)propanoate
- IUPAC
- (2R)-3-azaniumyl-2-(phenylmethoxycarbonylamino)propanoate
- English name
- Cbz-beta-amino-D-alanine
- Molecular formula
- C11H14N2O4
- Molecular weight
- 238.24
Names & synonyms
(2R)-3-azaniumyl-2-(phenylmethoxycarbonylamino)propanoateN(alpha)-Z-D-2,3-diaminopropionic acidCBZ-D-DAPZ-D-DAP-OHZ-D-Dpr-OHCbz-D-Dap-OHCBZ-β-Amino-D-alanine3-Amino-N-Cbz-D-alanineCbz-beta-amino-D-alanineZ-D-2,3-DIAMINOPROPIONIC ACIDCbz- D-2,3-diaminopropionic acidNα-Z-D-2,3-diaminopropionic acid
Database identifiers
- CAS
62234-37-1- PubChem CID
- 6950591
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 240 °C · ~240 °C (dec.)
- Boiling point
- 463.8 · 463.8±45.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 2.86 · 2.86±0.16(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- 20 · [α]20/D +39.5±1°, c = 1% in 1 M HCl
- BRN
- 1993024 · 1993024
- CAS DataBase Reference
- 62234 · 62234-37-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Safety Statements
- 22 · 22-24/25-25-24
- WGK Germany
- 3 · 3
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
- F
- 3
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25-25-24
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesNalpha-Benzyloxycarbonyl-D-2,3-diaminopropionic Acid
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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