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About This Item
Empirical Formula (Hill Notation):
C11H17N
CAS Number:
Molecular Weight:
163.26
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
Assay
97%
bp
235-236 °C (lit.)
density
0.927 g/mL at 25 °C (lit.)
functional group
amine
SMILES string
CC(C)(C)c1ccc(CN)cc1
InChI
1S/C11H17N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3
InChI key
MPWSRGAWRAYBJK-UHFFFAOYSA-N
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
224.6 °F - closed cup
Flash Point(C)
107 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Francesc Yraola et al.
Journal of medicinal chemistry, 49(21), 6197-6208 (2006-10-13)
Structure activity relationships for semicarbazide-sensitive amine oxidase/vascular adhesion protein-1 (SSAO/VAP-1) were studied using a library of arylalkylamine substrates, with the aim of contributing to the discovery of more efficient SSAO substrates. Experimental data were contrasted with computational docking studies, thereby
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