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About This Item
Empirical Formula (Hill Notation):
C12H13N
CAS Number:
Molecular Weight:
171.24
PubChem Substance ID:
UNSPSC Code:
12352005
Beilstein/REAXYS Number:
3195950
MDL number:
SMILES string
C[C@@H](N)c1ccc2ccccc2c1
InChI
1S/C12H13N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,13H2,1H3/t9-/m1/s1
InChI key
KHSYYLCXQKCYQX-SECBINFHSA-N
assay
≥99.0% (sum of enantiomers, GC)
form
solid
optical activity
[α]20/D +21±1°, c = 1% in methanol
mp
47-50 °C
Other Notes
Versatile chiral primary amine; studies about aldol reactions of the acetamide; and reactions with the corresponding amidocuprate
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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R. Devant et al.
Chemische Berichte, 119, 2191-2191 (1986)
M G Bock et al.
Journal of medicinal chemistry, 30(10), 1853-1857 (1987-10-01)
A series of statine-containing tetrapeptides, systematically modified at the carboxy terminus with various hydrophobic aromatic groups, is described. These compounds were tested in vitro for their ability to inhibit porcine, human plasma, and purified human kidney renins. These analogues help
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