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3-(dimethylamino)-1-phenylpropan-1-ol; oxalic acid

3-(dimethylamino)-1-phenylpropan-1-ol; oxalic acid

CAS: 1270016-44-8

Formula: C13H19NO5

SMILES: OC(=O)C(O)=O.CN(C)CCC(O)C1=CC=CC=C1

IUPAC: 3-(dimethylamino)-1-phenylpropan-1-ol; oxalic acid

InChI: InChI=1/C11H17NO.C2H2O4/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;3-1(4)2(5)6/h3-7,11,13H,8-9H2,1-2H3;(H,3,4)(H,5,6)

Composition: C (57.98%), H (7.11%), N (5.20%), O (29.71%)

Molar Mass: 269.297

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 269.126322716
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WJDOYDOLXKWIKQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.43
Topological Polar Surface Area 23.47
Polarizability 21.7
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1270016-44-8 $51.35-$449.02$51.35$63.37$86.31$292.79$449.02
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Key Organics Ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1270016-44-8 $51.35-$449.02$51.35$63.37$86.31$292.79$449.02
Request Quote