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3-amino-N-[4-(dimethylamino)phenyl]propanamide dihydrochloride

3-amino-N-[4-(dimethylamino)phenyl]propanamide dihydrochloride

CAS: 1269039-52-2

Formula: C11H19Cl2N3O

SMILES: Cl.Cl.CN(C)C1=CC=C(NC(=O)CCN)C=C1

IUPAC: 3-amino-N-[4-(dimethylamino)phenyl]propanamide dihydrochloride

InChI: InChI=1S/C11H17N3O.2ClH/c1-14(2)10-5-3-9(4-6-10)13-11(15)7-8-12;;/h3-6H,7-8,12H2,1-2H3,(H,13,15);2*1H

Composition: C (47.15%), H (6.84%), Cl (25.30%), N (15.00%), O (5.71%)

Molar Mass: 280.19

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 279.0905176
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JMZNWRBOLXPBDA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.41
Topological Polar Surface Area 58.36
Polarizability 23.4
Ring Count 1
Rotatable Bond Count 4

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