L-Valine benzyl ester hydrochloride

HCID 11601206

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

L-Valine benzyl ester hydrochlorideRefChem:798182690-497-62462-34-2H-Val-OBzl.HClVal-OBzl HClH-Val-OBzl . HClbenzyl l-valinate hydrochlorideL-Val-OBzl.HClbenzyl (2S)-2-amino-3-methylbutanoate hydrochlorideval-obzl.hcl(S)-benzyl 2-amino-3-methylbutanoate hydrochloride
Show more names
H-VAL-OBZL HCLH-Val-OBzl.HCIL-Val-OBzl·HClVALINE-OBZL HCLH-L-Val-Obzl.HClL-Valine benzyl ester, HCl
MFCD22422648L-Valine, phenylmethyl ester, hydrochloride (1:1)benzyl (2S)-2-amino-3-methylbutanoate;hydrochloridevaline benzyl ester hydrochlorideDTXSID80469272HY-W018238L-VALINE, PHENYLMETHYL ESTER, HCLEN300-124650

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

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

Safety & regulation

GHS classification

GHS Classification · 6 items

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

Hazard Classes and CategoriesSkin Irrit. 2 (50%);Eye Irrit. 2A (50%);STOT SE 3 (50%)

Safety data

wgk
3
hs_code
29224999
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
Hazard statements
H302

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

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]

Related reactions

4 records

Compound notes

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