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About This Item
Empirical Formula (Hill Notation):
C9H13NO
CAS Number:
Molecular Weight:
151.21
PubChem Substance ID:
UNSPSC Code:
12352000
Beilstein/REAXYS Number:
3196456
MDL number:
assay
≥98.0% (sum of enantiomers, GC)
optical activity
[α]20/D −32±2°, neat
optical purity
enantiomeric ratio: ≥97.5:2.5 (GC)
refractive index
n20/D 1.533
density
1.024 g/mL at 20 °C (lit.)
SMILES string
COc1ccc(cc1)[C@H](C)N
InChI
1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3/t7-/m0/s1
InChI key
JTDGKQNNPKXKII-ZETCQYMHSA-N
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signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Regulatory Information
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