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74444-73-8 molecular structure
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2-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

ChemBase ID: 815759
Molecular Formular: C11H12ClNO2
Molecular Mass: 225.67148
Monoisotopic Mass: 225.05565631
SMILES and InChIs

SMILES:
c1cc2c(cc1Cl)CCC(C2)(C(=O)O)N
Canonical SMILES:
Clc1ccc2c(c1)CCC(C2)(N)C(=O)O
InChI:
InChI=1S/C11H12ClNO2/c12-9-2-1-8-6-11(13,10(14)15)4-3-7(8)5-9/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKey:
ULPHLMBCRBDFDH-UHFFFAOYSA-N

Cite this record

CBID:815759 http://www.chembase.cn/molecule-815759.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
IUPAC Traditional name
2-amino-6-chloro-3,4-dihydro-1H-naphthalene-2-carboxylic acid
Synonyms
2-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CAS Number
74444-73-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38176 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38176 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8813463  H Acceptors
H Donor LogD (pH = 5.5) -0.020517064 
LogD (pH = 7.4) -0.022387998  Log P -0.02051181 
Molar Refractivity 57.7964 cm3 Polarizability 22.728075 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

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