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About This Item
Empirical Formula (Hill Notation):
C4H9NO
CAS Number:
Molecular Weight:
87.12
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
4652606
Assay:
98%
assay
98%
optical activity
[α]20/D +6.5°, c = 3.5 in methanol
impurities
<2% tetraethylene glycol dimethyl ether
refractive index
n20/D 1.488 (lit.)
bp
215-216 °C (lit.)
density
1.078 g/mL at 20 °C (lit.)
functional group
hydroxyl
SMILES string
O[C@@H]1CCNC1
InChI
1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2/t4-/m1/s1
InChI key
JHHZLHWJQPUNKB-SCSAIBSYSA-N
Application
Used as a ligand in the enantioselective addition of diethylzinc to aromatic aldehydes leading to optically active secondary alcohols. Also used to prepare-κ-opioid receptor agonists.
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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