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2-{[(4-methoxyphenyl)methyl]amino}acetonitrile hydrochloride

2-{[(4-methoxyphenyl)methyl]amino}acetonitrile hydrochloride

CAS: 68220-91-7

Formula: C10H13ClN2O

SMILES: Cl.COC1=CC=C(CNCC#N)C=C1

IUPAC: 2-{[(4-methoxyphenyl)methyl]amino}acetonitrile hydrochloride

InChI: InChI=1S/C10H12N2O.ClH/c1-13-10-4-2-9(3-5-10)8-12-7-6-11;/h2-5,12H,7-8H2,1H3;1H

Composition: C (56.48%), H (6.16%), Cl (16.67%), N (13.17%), O (7.52%)

Molar Mass: 212.68

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.0716407
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NSRQZIKILDUTEG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.83
Topological Polar Surface Area 45.05
Polarizability 19.73
Ring Count 1
Rotatable Bond Count 4

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97% <2 Days 68220-91-7 $51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43
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