L-Alanine ethyl ester

HCID 76507
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Basic information

CAS
3082-75-5
Standard SMILES
CCOC(=O)[C@H](C)N
InChIKey
ROBXZHNBBCHEIQ-BYPYZUCNSA-N
Molecular formula
C5H11NO2
Average molar mass
117.15 g/mol
Monoisotopic mass
117.07897859

Names & identifiers

Preferred name
L-Alanine ethyl ester
IUPAC
ethyl (2S)-2-aminopropanoate
English name
ethyl alaninate
Molecular formula
C5H11NO2
Molecular weight
117.15

Names & synonyms

Ethyl alaninate3082-75-5L-ALANINE ETHYL ESTERDTXSID10953018RefChem:1088100DTXCID401381083221-380-6ethyl (2S)-2-aminopropanoateAlanine ethyl esterL-Alanine, ethyl ester(S)-ethyl 2-aminopropanoateethyl l-alaninate
Show more names
H-L-Ala-OEtImpurity DA-2Alanine ethylL-Alanine ethylethylL-alaninateEthyl (S)-2-amino-propanoate(S)-2-Aminopropionic acid ethyl
Ethyl 2-aminopropanoate #Alanine, ethyl ester, L-l-ala ethyl esterAla-OEtEINECS 221-380-6alpha-alanine ethyl esterH-DL-Ala-OEt . HClSCHEMBL135308

Database identifiers

CAS
3082-75-5
PubChem CID
76507
DTXSID
DTXSID10953018
EC Number
221-380-6
Nikkaji
J25.554H

Properties

Computed structural properties

XLogP
0
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
8

Physicochemical properties

Melting point
165 · 165-166.5 °C
Boiling point
56 °C · 56 °C(Press: 30 Torr)
Density
0.987 · 0.987±0.06 g/cm3(Predicted)
pka
8.03 · 8.03±0.29(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers10 total

Syntechem Co.,Ltd[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]

Related reactions

96 records
New reaction record

Compound notes

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