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About This Item
Empirical Formula (Hill Notation):
C5H12N2
CAS Number:
Molecular Weight:
100.16
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
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Assay
99%
optical activity
[α]20/D +6.8°, c = 1 in ethanol
mp
91-93 °C (lit.)
SMILES string
C[C@H]1CNCCN1
InChI
1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/t5-/m0/s1
InChI key
JOMNTHCQHJPVAZ-YFKPBYRVSA-N
Application
Valuable synthon for quinoline antibacterials.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Flam. Sol. 1 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
4.1B - Flammable solid hazardous materials
WGK
WGK 3
Flash Point(F)
149.0 °F - closed cup
Flash Point(C)
65 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Organic preparations and procedures international, 22, 761-761 (1990)
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