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617-27-6 molecular structure
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ethyl 2-aminopropanoate hydrochloride

ChemBase ID: 152084
Molecular Formular: C5H12ClNO2
Molecular Mass: 153.60728
Monoisotopic Mass: 153.05565631
SMILES and InChIs

SMILES:
CCOC(=O)C(C)N.Cl
Canonical SMILES:
CCOC(=O)C(N)C.Cl
InChI:
InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H
InChIKey:
JCXLZWMDXJFOOI-UHFFFAOYSA-N

Cite this record

CBID:152084 http://www.chembase.cn/molecule-152084.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-aminopropanoate hydrochloride
IUPAC Traditional name
ethyl 2-aminopropanoate hydrochloride
Synonyms
DL-Alanine ethyl ester hydrochloride
NSC 46032
D,L-Alanine Ethyl Ester Hydrochloride
DL-Ethyl 2-aMinopropanoate hydrochloride
ethyl 2-aminopropanoate hydrochloride
DL-丙氨酸乙酯 盐酸盐
CAS Number
617-27-6
EC Number
210-507-0
MDL Number
MFCD00013018
Beilstein Number
3654425
PubChem SID
24845824
162246229
PubChem CID
102560

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8947291  LogD (pH = 7.4) -0.34745887 
Log P -0.0760093  Molar Refractivity 30.015 cm3
Polarizability 12.24825 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)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
White Crystalline Solid expand Show data source
Melting Point
85 - 87°C expand Show data source
85-87 °C(lit.) expand Show data source
87-88°C expand Show data source
Hydrophobicity(logP)
0.09 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% (AT) expand Show data source
95% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3CH(NH2)COOC2H5 · HCl expand Show data source

DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Wenzel, T., et al.: Anal. Bioanal. Chem., 378, 1536 (2004)
  • • Piscitelli, F., et al.: J. Med. Chem., 52, 1922 (2004)
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PATENTS

PATENTS

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INTERNET

INTERNET

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