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About This Item
Empirical Formula (Hill Notation):
C9H13N
CAS Number:
Molecular Weight:
135.21
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
InChI
1S/C9H13N/c1-8-4-3-5-9(6-8)7-10-2/h3-6,10H,7H2,1-2H3
SMILES string
CNCc1cccc(C)c1
InChI key
WCTNVGNEUDTSOZ-UHFFFAOYSA-N
assay
97%
refractive index
n20/D 1.5190 (lit.)
bp
90-92 °C/15 mmHg (lit.)
density
0.900 g/mL at 25 °C (lit.)
functional group
amine
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
174.0 °F - closed cup
flash_point_c
78.9 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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Bryce J Marquis et al.
Chromatographia, 80(12), 1723-1732 (2017-12-08)
Small molecules containing carboxylic acid functional groups are ubiquitous throughout biology, playing vital roles in biological chemistry ranging from energy metabolism to cellular signaling. This paper describes a new derivatization reagent, 4-bromo-
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