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3-(ethylamino)benzonitrile

3-(ethylamino)benzonitrile

CAS: 883742-00-5

Formula: C9H10N2

SMILES: CCNC1=CC=CC(=C1)C#N

IUPAC: 3-(ethylamino)benzonitrile

InChI: InChI=1S/C9H10N2/c1-2-11-9-5-3-4-8(6-9)7-10/h3-6,11H,2H2,1H3

Composition: C (73.94%), H (6.89%), N (19.16%)

Molar Mass: 146.193

Atom Count: 21

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 146.08439833
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HWXWPZQREZOXJJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.72
Topological Polar Surface Area 35.82
Polarizability 16.99
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS UnitPrice
98% <10 Days 883742-00-5 Quote Only
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95% <6 Days 883742-00-5 $66.70-$167.90$66.70$167.90
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95% <7 Days 883742-00-5 $33.12-$131.45$33.12$51.75$131.45
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95% <5 Days 883742-00-5 $60.53-$242.11$60.53$95.84$242.11
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