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3-({[4-(diethylamino)phenyl]methyl}amino)propanamide

3-({[4-(diethylamino)phenyl]methyl}amino)propanamide

CAS: 1040688-32-1

Formula: C14H23N3O

SMILES: CCN(CC)C1=CC=C(CNCCC(N)=O)C=C1

IUPAC: 3-({[4-(diethylamino)phenyl]methyl}amino)propanamide

InChI: InChI=1S/C14H23N3O/c1-3-17(4-2)13-7-5-12(6-8-13)11-16-10-9-14(15)18/h5-8,16H,3-4,9-11H2,1-2H3,(H2,15,18)

Composition: C (67.43%), H (9.30%), N (16.85%), O (6.42%)

Molar Mass: 249.358

Atom Count: 41

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 249.184112373
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WEBTUTGDUSYFRQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.84
Topological Polar Surface Area 58.36
Polarizability 28.94
Ring Count 1
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1040688-32-1 $212.83$212.83
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