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3-chloro-4-[3-(dimethylamino)propoxy]aniline

3-chloro-4-[3-(dimethylamino)propoxy]aniline

CAS: 946729-64-2

Formula: C11H17ClN2O

SMILES: CN(C)CCCOC1=C(Cl)C=C(N)C=C1

IUPAC: 3-chloro-4-[3-(dimethylamino)propoxy]aniline

InChI: InChI=1S/C11H17ClN2O/c1-14(2)6-3-7-15-11-5-4-9(13)8-10(11)12/h4-5,8H,3,6-7,13H2,1-2H3

Composition: C (57.77%), H (7.49%), Cl (15.50%), N (12.25%), O (7.00%)

Molar Mass: 228.72

Atom Count: 32

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.1029409
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IIKDEFIJQFLTFB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.91
Topological Polar Surface Area 38.49
Polarizability 24.76
Ring Count 1
Rotatable Bond Count 5

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