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About This Item
Empirical Formula (Hill Notation):
C6H13NO
CAS Number:
Molecular Weight:
115.17
EC Number:
251-981-9
UNSPSC Code:
12352200
PubChem Substance ID:
Beilstein/REAXYS Number:
79851
MDL number:
grade
purum
assay
≥99.0% (sum of enantiomers, GC)
optical activity
[α]20/D −51±1°, c = 5% in methanol
refractive index
n20/D 1.469
bp
67-69 °C/12 mmHg (lit.)
density
0.968 g/mL at 25 °C (lit.)
storage temp.
−20°C
SMILES string
CN1CCC[C@H]1CO
InChI
1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m0/s1
InChI key
VCOJPHPOVDIRJK-LURJTMIESA-N
Other Notes
Chiral ligand used in the enantioface conjugate addition of cuprates to enones; Used as starting material for the preparation of (S)-2-cyanomethyl-1-methylpyrrolidine without loss of optical purity; Intermediate in an optically active alkaloid synthesis; Preparation of (S)-prophos
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
145.4 °F - closed cup
flash_point_c
63 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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F. Leydendecker et al.
Tetrahedron Letters, 24, 3513-3513 (1983)
T. Hayashi et al.
The Journal of Organic Chemistry, 48, 2195-2195 (1982)
T. Imamoto et al.
Chemistry Letters (Jpn), 45-45 (1980)
A. Mizuno et al.
Synthesis, 1007-1007 (1980)
Ch.G. Chavdarian et al.
Organic preparations and procedures international, 13, 389-389 (1981)
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