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1340545-88-1 molecular structure
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2-[(3,5-dimethyladamantan-1-yl)amino]acetic acid

ChemBase ID: 172632
Molecular Formular: C14H23NO2
Molecular Mass: 237.33792
Monoisotopic Mass: 237.17287898
SMILES and InChIs

SMILES:
C12(CC3CC(C1)(CC(C2)(C3)C)C)NCC(=O)O
Canonical SMILES:
OC(=O)CNC12CC3CC(C2)(CC(C1)(C3)C)C
InChI:
InChI=1S/C14H23NO2/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)15-6-11(16)17/h10,15H,3-9H2,1-2H3,(H,16,17)
InChIKey:
VENQYZMKCWDVAQ-UHFFFAOYSA-N

Cite this record

CBID:172632 http://www.chembase.cn/molecule-172632.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(3,5-dimethyladamantan-1-yl)amino]acetic acid
IUPAC Traditional name
[(3,5-dimethyladamantan-1-yl)amino]acetic acid
Synonyms
N-(3,5-Dimethyltricyclo[3.3.1.13,7]dec-1-yl)glycine
Memantine Glycine
CAS Number
1340545-88-1
PubChem SID
164228542
PubChem CID
68537129

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M218015 external link Add to cart
PubChem 68537129 external link
Data Source Data ID Price
TRC
M218015 external link Add to cart Please log in.
Data Source Data ID
PubChem 68537129 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.2566342  H Acceptors
H Donor LogD (pH = 5.5) -0.4950333 
LogD (pH = 7.4) -0.49492902  Log P -0.4948726 
Molar Refractivity 65.345 cm3 Polarizability 26.366417 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M218015 external link
An impurity of the antiparkinsonian and antispasmodic agent Memantine (M218000).

REFERENCES

REFERENCES

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  • • Rystov, L. et al.: J. Pharmac. Biomed. Anal., 56, 887 (2011)
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PATENTS

PATENTS

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INTERNET

INTERNET

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