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2491-20-5 molecular structure
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methyl (2S)-2-aminopropanoate hydrochloride

ChemBase ID: 815836
Molecular Formular: C4H10ClNO2
Molecular Mass: 139.5807
Monoisotopic Mass: 139.04000625
SMILES and InChIs

SMILES:
Cl.N[C@@H](C)C(=O)OC
Canonical SMILES:
COC(=O)[C@@H](N)C.Cl
InChI:
InChI=1S/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H/t3-;/m0./s1
InChIKey:
IYUKFAFDFHZKPI-DFWYDOINSA-N

Cite this record

CBID:815836 http://www.chembase.cn/molecule-815836.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (2S)-2-aminopropanoate hydrochloride
IUPAC Traditional name
D-alanyl ester hydrochloride
Synonyms
L-ALANINE METHYL ESTER HYDROCHLORIDE
CAS Number
2491-20-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38821 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38821 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2518427  LogD (pH = 7.4) -0.70442027 
Log P -0.43281725  Molar Refractivity 25.2664 cm3
Polarizability 10.418138 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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