Home > Compound List > Compound details
6297-53-6 molecular structure
click picture or here to close

ethyl 2-amino-4-(methylsulfanyl)butanoate hydrochloride

ChemBase ID: 296075
Molecular Formular: C7H16ClNO2S
Molecular Mass: 213.72544
Monoisotopic Mass: 213.05902744
SMILES and InChIs

SMILES:
CCOC(=O)C(N)CCSC.Cl
Canonical SMILES:
CSCCC(C(=O)OCC)N.Cl
InChI:
InChI=1S/C7H15NO2S.ClH/c1-3-10-7(9)6(8)4-5-11-2;/h6H,3-5,8H2,1-2H3;1H
InChIKey:
KPWCQEUBJAIORR-UHFFFAOYSA-N

Cite this record

CBID:296075 http://www.chembase.cn/molecule-296075.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-amino-4-(methylsulfanyl)butanoate hydrochloride
IUPAC Traditional name
ethyl 2-amino-4-(methylsulfanyl)butanoate hydrochloride
Synonyms
H-DL-Met-OEt.HCl
DL-Methionine ethyl ester hydrochloride
DL-蛋氨酸乙酯盐酸盐
CAS Number
6297-53-6
EC Number
228-571-3
MDL Number
MFCD00237859
PubChem SID
180681606
PubChem CID
12641634

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
H25781 external link Add to cart Please log in.
Data Source Data ID
PubChem 12641634 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2750741  LogD (pH = 7.4) 0.28765944 
Log P 0.57541907  Molar Refractivity 47.1037 cm3
Polarizability 18.982857 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
72-75°C expand Show data source
Storage Warning
Hygroscopic expand Show data source
TSCA Listed
expand Show data source
Purity
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle