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433292-03-6 molecular structure
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2-amino-2-(naphthalen-2-yl)acetic acid hydrochloride

ChemBase ID: 811338
Molecular Formular: C12H12ClNO2
Molecular Mass: 237.68218
Monoisotopic Mass: 237.05565631
SMILES and InChIs

SMILES:
Cl.C(C(=O)O)(c1ccc2c(cccc2)c1)N
Canonical SMILES:
OC(=O)C(c1ccc2c(c1)cccc2)N.Cl
InChI:
InChI=1S/C12H11NO2.ClH/c13-11(12(14)15)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7,11H,13H2,(H,14,15);1H
InChIKey:
BGWXXGCAWFXWAO-UHFFFAOYSA-N

Cite this record

CBID:811338 http://www.chembase.cn/molecule-811338.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-2-(naphthalen-2-yl)acetic acid hydrochloride
IUPAC Traditional name
amino(naphthalen-2-yl)acetic acid hydrochloride
Synonyms
AMINO-NAPHTHALEN-2-YL-ACETIC ACID HYDROCHLORIDE
CAS Number
433292-03-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30632 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30632 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.4245043  H Acceptors
H Donor LogD (pH = 5.5) -0.48133975 
LogD (pH = 7.4) -0.49713555  Log P -0.48158506 
Molar Refractivity 56.8115 cm3 Polarizability 23.569647 Å3
Polar Surface Area 63.32 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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