B7753
Butyl 4-aminobenzoate
Synonym(s):
Butamben
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About This Item
Linear Formula:
H2NC6H4CO2(CH2)3CH3
CAS Number:
Molecular Weight:
193.24
EC Number:
202-317-1
UNSPSC Code:
12352100
MDL number:
Beilstein/REAXYS Number:
1211465
InChI
1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3
InChI key
IUWVALYLNVXWKX-UHFFFAOYSA-N
SMILES string
CCCCOC(=O)c1ccc(N)cc1
bp
174 °C/8 mmHg (lit.)
mp
57-58 °C (lit.)
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Regulatory Information
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Hye Joo Kim et al.
Bioorganic & medicinal chemistry letters, 21(24), 7363-7366 (2011-11-02)
As the primary step for 'drug repositioning', we evaluated the effect of 2000 drugs and drug candidates on the commitment of bi-potential mesenchymal precursor C2C12 cells into osteoblasts in the presence of bone morphogenetic protein (BMP)-2 and found that butamben
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
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