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[2-(4-chloro-3,5-dimethylphenoxy)ethyl](ethyl)amine

[2-(4-chloro-3,5-dimethylphenoxy)ethyl](ethyl)amine

CAS: 1040685-98-0

Formula: C12H18ClNO

SMILES: CCNCCOC1=CC(C)=C(Cl)C(C)=C1

IUPAC: [2-(4-chloro-3,5-dimethylphenoxy)ethyl](ethyl)amine

InChI: InChI=1S/C12H18ClNO/c1-4-14-5-6-15-11-7-9(2)12(13)10(3)8-11/h7-8,14H,4-6H2,1-3H3

Composition: C (63.29%), H (7.97%), Cl (15.57%), N (6.15%), O (7.03%)

Molar Mass: 227.73

Atom Count: 33

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 227.1076919
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BXVBZNQPWRPWCR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.88
Topological Polar Surface Area 21.26
Polarizability 25.28
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1040685-98-0 $212.83$212.83
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