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About This Item
Linear Formula:
C10H7CH(CH3)NH2
CAS Number:
Molecular Weight:
171.24
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
EC Number:
223-425-5
Beilstein/REAXYS Number:
2208025
MDL number:
Assay:
≥99%
Form:
liquid
Quality Level
assay
≥99%
form
liquid
optical activity
[α]20/D +55°, c = 2 in ethanol
optical purity
ee: 98% (GLC)
refractive index
n20/D 1.623 (lit.)
bp
153 °C/11 mmHg (lit.)
density
1.067 g/mL at 20 °C (lit.)
functional group
amine
SMILES string
C[C@@H](N)c1cccc2ccccc12
InChI
1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m1/s1
InChI key
RTCUCQWIICFPOD-SECBINFHSA-N
Application
Absolute configuration of primary amines determined using chiral (2-nitrophenyl)proline amides and 1H NMR.
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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Hee Choon Ahn et al.
Organic letters, 9(19), 3853-3855 (2007-08-23)
N-(2-Nitrophenyl)proline (2-NPP) amides of primary amines have a conformational preference for intramolecular hydrogen bonding. Because of the strong and selective anisotropic effects on the amine substituents, the absolute configuration of alpha-chiral primary amines can be assigned by comparing the 1H
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 237442-1G | 04061838786166 |
| 237442-5G | 04061837639296 |
