N-(Benzyloxycarbonyl)-DL-alanine
Basic information
- CAS
1142-20-7- Standard SMILES
CC(NC(=O)OCc1ccccc1)C(=O)O- InChIKey
TYRGLVWXHJRKMT-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- N-(Benzyloxycarbonyl)-DL-alanine
- IUPAC
- 2-(phenylmethoxycarbonylamino)propanoic acid
- English name
- Z-DL-Ala-OH
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.23
Names & synonyms
4132-86-9N-Benzyloxycarbonyl-DL-alanineN-(Benzyloxycarbonyl)-DL-alanineDTXSID701302668RefChem:1091402DTXCID60213856223-953-62-(((Benzyloxy)carbonyl)amino)propanoic acidZ-DL-Ala-OHDL-Cbz-alanineN-Carbobenzoxy-DL-alanine2-(phenylmethoxycarbonylamino)propanoic acid
Show more names
N-CBZ-DL-ALANINEZ-DL-ALANSC 27684CBZ-DL-ALAN-Cbz-DL-AlaZ-DL-ALANINECbz-DL-Ala-OH
MFCD000631252-Benzyloxycarbonylamino-propionic acidN-[(Benzyloxy)carbonyl]alaninecarbobenzoxy-dl-alanineDL-Alanine, N-[(phenylmethoxy)carbonyl]-2-{[(benzyloxy)carbonyl]amino}propanoic acidAlanine, N-benzyl ester, L-N(Benzyloxycarbonyl)-DL-alanine
Database identifiers
- CAS
1142-20-7、26607-51-2、4132-86-9、91280-19-2- PubChem CID
- 95657
- DTXSID
DTXSID701302668- EC Number
- 223-953-6
- Nikkaji
- J154.032G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 112 · 112-113 °C(lit.)
- Boiling point
- 364.51 °C · 364.51°C (rough estimate)
- Density
- 1.2446 · 1.2446 (rough estimate)
- refractive index
- 1.496 · 1.4960 (estimate)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- almost transparency in Methanol
- form
- powder to crystal
- pka
- 4 · 4.00±0.10(Predicted)
- color
- White to Almost white
- BRN
- 6847292 · 6847292
- Major Application
- peptide synthesis
- InChI
- 1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)
- InChIKey
- TYRGLVWXHJRKMT-UHFFFAOYSA-N
- SMILES
- CC(NC(=O)OCc1ccccc1)C(O)=O
- CAS DataBase Reference
- 4132 · 4132-86-9(CAS DataBase Reference)
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29242990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usespeptide synthesis
Related reactions
216 records
Compound notes
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