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6003-05-0 molecular structure
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(2S)-2-aminopropanoic acid hydrochloride

ChemBase ID: 157775
Molecular Formular: C3H8ClNO2
Molecular Mass: 125.55412
Monoisotopic Mass: 125.02435618
SMILES and InChIs

SMILES:
C[C@@H](C(=O)O)N.Cl
Canonical SMILES:
C[C@@H](C(=O)O)N.Cl
InChI:
InChI=1S/C3H7NO2.ClH/c1-2(4)3(5)6;/h2H,4H2,1H3,(H,5,6);1H/t2-;/m0./s1
InChIKey:
ILYVXUGGBVATGA-DKWTVANSSA-N

Cite this record

CBID:157775 http://www.chembase.cn/molecule-157775.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-aminopropanoic acid hydrochloride
IUPAC Traditional name
L-alanine hydrochloride
Synonyms
L-Alanine hydrochloride solution
L-丙氨酸 盐酸盐 溶液
CAS Number
6003-05-0
MDL Number
MFCD03791086
Beilstein Number
4296703
PubChem SID
162251912
24879316
PubChem CID
165389

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
55329 external link Add to cart Please log in.
Data Source Data ID
PubChem 165389 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.4748974  H Acceptors
H Donor LogD (pH = 5.5) -2.840927 
LogD (pH = 7.4) -2.843974  Log P -2.840788 
Molar Refractivity 20.4973 cm3 Polarizability 8.358352 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
100 mM amino acid in 0.1 M HCl expand Show data source
Grade
analytical standard expand Show data source
Empirical Formula (Hill Notation)
C3H7NO2 · HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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