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methoxytyramine hydrochloride

methoxytyramine hydrochloride

CAS: 1477-68-5

Formula: C9H14ClNO2

SMILES: Cl.COC1=C(O)C=CC(CCN)=C1

IUPAC: 4-(2-aminoethyl)-2-methoxyphenol hydrochloride

InChI: InChI=1S/C9H13NO2.ClH/c1-12-9-6-7(4-5-10)2-3-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H

Composition: C (53.08%), H (6.93%), Cl (17.41%), N (6.88%), O (15.71%)

Molar Mass: 203.67

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 203.0713064
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey AWRIOTVUTPLWLF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.73
Topological Polar Surface Area 55.48
Polarizability 18.58
Ring Count 1
Rotatable Bond Count 3

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