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3-[4-(benzyloxy)-3-methoxyphenyl]propan-1-amine

3-[4-(benzyloxy)-3-methoxyphenyl]propan-1-amine

CAS: 65004-80-0

Formula: C17H21NO2

SMILES: COC1=CC(CCCN)=CC=C1OCC1=CC=CC=C1

IUPAC: 3-[4-(benzyloxy)-3-methoxyphenyl]propan-1-amine

InChI: InChI=1S/C17H21NO2/c1-19-17-12-14(8-5-11-18)9-10-16(17)20-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13,18H2,1H3

Composition: C (75.25%), H (7.80%), N (5.16%), O (11.79%)

Molar Mass: 271.36

Atom Count: 41

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 271.15722892
Formal Charge 0
FSP3 0.29
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HTPONJMRORLXIQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.43
Topological Polar Surface Area 44.48
Polarizability 31.95
Ring Count 2
Rotatable Bond Count 7

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 65004-80-0 $264.00-$633.60$264.00$396.48$633.60
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