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(2S)-2-amino-N-{[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl}propanamide hydrochloride

(2S)-2-amino-N-{[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl}propanamide hydrochloride

CAS: 1821908-49-9

Formula: C19H25ClN2O2

SMILES: Cl.C[C@H](N)C(=O)NCC1=CC(C)=C(OC2=CC(C)=CC(C)=C2)C=C1

IUPAC: (2S)-2-amino-N-{[4-(3,5-dimethylphenoxy)-3-methylphenyl]methyl}propanamide hydrochloride

InChI: InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1

Composition: C (65.41%), H (7.22%), Cl (10.16%), N (8.03%), O (9.17%)

Molar Mass: 348.87

Atom Count: 49

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 348.1604558
Formal Charge 0
FSP3 0.32
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey OQGSBQJSJRLNQH-RSAXXLAASA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.19
Topological Polar Surface Area 64.35
Polarizability 36.06
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1821908-49-9 $117.72-$1,424.08$117.72$152.88$275.95$528.20$1,424.08
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