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Key Documents

Safety Information

B7753

Sigma-Aldrich

Butyl 4-aminobenzoate

Synonym(s):

Butamben

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About This Item

Linear Formula:
H2NC6H4CO2(CH2)3CH3
CAS Number:
Molecular Weight:
193.24
Beilstein:
1211465
EC Number:
MDL number:
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

Signal Word

Warning

Hazard Statements

Precautionary Statements

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

B7753-BULK:
B7753-100G:
B7753-25G:


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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