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B7753

Sigma-Aldrich

Butyl 4-aminobenzoate

Synonym(s):

Butamben

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About This Item

Linear Formula:
H2NC6H4CO2(CH2)3CH3
CAS Number:
94-25-7
Molecular Weight:
193.24
Beilstein:
1211465
EC Number:
202-317-1
MDL number:
MFCD00017112
UNSPSC Code:
12352100

bp

174 °C/8 mmHg (lit.)

mp

57-58 °C (lit.)

SMILES string

CCCCOC(=O)c1ccc(N)cc1

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

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H317,H319,H335

Precautionary Statements

P261 - P280 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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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