Basic information
- CAS
2462-34-2- Standard SMILES
CC(C)[C@H](N)C(=O)OCc1ccccc1.Cl- InChIKey
ZIUNABFUHGBCMF-MERQFXBCSA-N- Molecular formula
- C12H18ClNO2
- Average molar mass
- 243.73 g/mol
- Monoisotopic mass
- 243.1026065
Names & identifiers
- Preferred name
- L-Valine benzyl ester hydrochloride
- IUPAC
- benzyl (2S)-2-amino-3-methylbutanoate;hydrochloride
- English name
- L-Valine benzyl ester hydrochloride
- Molecular formula
- C12H18ClNO2
- Molecular weight
- 243.73
Names & synonyms
Show more names
Database identifiers
- CAS
2462-34-2- PubChem CID
- 11601206
- DTXSID
DTXSID80469272- EC Number
- 690-497-6
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 138 °C · 138 °C
- refractive index
- -10 ° · -10 ° (C=2, H2O)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform, Methanol, Water
- form
- Solid
- color
- White
- optical activity
- Consistent with structure
- CAS DataBase Reference
- 2462 · 2462-34-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HS Code
- 29224999 · 29224999
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- wgk
- 3
- hs_code
- 29224999
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesL-Valine Benzyl Ester is a L-Valine derivative useful as intermediate for the preparation of peptides.
UsesL-Valine benzyl ester hydrochloride is a L-Valine derivative useful as intermediate for the preparation of peptides.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
Compound notes
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