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62062-65-1 molecular structure
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propan-2-yl (2S)-2-aminopropanoate hydrochloride

ChemBase ID: 69286
Molecular Formular: C6H14ClNO2
Molecular Mass: 167.63386
Monoisotopic Mass: 167.07130637
SMILES and InChIs

SMILES:
C(=O)([C@H](C)N)OC(C)C.Cl
Canonical SMILES:
CC(OC(=O)[C@@H](N)C)C.Cl
InChI:
InChI=1S/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
InChIKey:
YAQKNCSWDMGPOY-JEDNCBNOSA-N

Cite this record

CBID:69286 http://www.chembase.cn/molecule-69286.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propan-2-yl (2S)-2-aminopropanoate hydrochloride
IUPAC Traditional name
isopropyl (2S)-2-aminopropanoate hydrochloride
Synonyms
H-Ala-OiPr hydrochloride
H-Ala-OiPr HCl
CAS Number
62062-65-1
MDL Number
MFCD08059709
PubChem SID
162035013
PubChem CID
13089459

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13089459 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4778464  LogD (pH = 7.4) 0.06927047 
Log P 0.3405657  Molar Refractivity 34.4338 cm3
Polarizability 14.082125 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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