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644-26-8 molecular structure
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1-(dimethylamino)-2-methylbutan-2-yl benzoate

ChemBase ID: 125853
Molecular Formular: C14H21NO2
Molecular Mass: 235.32204
Monoisotopic Mass: 235.15722892
SMILES and InChIs

SMILES:
O=C(OC(C)(CC)CN(C)C)c1ccccc1
Canonical SMILES:
CCC(OC(=O)c1ccccc1)(CN(C)C)C
InChI:
InChI=1S/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3
InChIKey:
FDMBBCOBEAVDAO-UHFFFAOYSA-N

Cite this record

CBID:125853 http://www.chembase.cn/molecule-125853.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(dimethylamino)-2-methylbutan-2-yl benzoate
IUPAC Traditional name
stovaine
Synonyms
Amylocaine
CAS Number
644-26-8
PubChem SID
162220198
PubChem CID
10767
Chemspider ID
10312
KEGG ID
D07454
Unique Ingredient Identifier
QRW683O56T
Wikipedia Title
Amylocaine

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 29.54 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 0.06276541 
LogD (pH = 7.4) 1.6965091  Log P 3.2150414 
Molar Refractivity 69.6834 cm3 Polarizability 27.328346 Å3

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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