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1-{[2-(4-methoxyphenyl)ethyl]amino}propan-2-ol hydrochloride

1-{[2-(4-methoxyphenyl)ethyl]amino}propan-2-ol hydrochloride

CAS: 2102412-81-5

Formula: C12H20ClNO2

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

IUPAC: 1-{[2-(4-methoxyphenyl)ethyl]amino}propan-2-ol hydrochloride

InChI: InChI=1/C12H19NO2.ClH/c1-10(14)9-13-8-7-11-3-5-12(15-2)6-4-11;/h3-6,10,13-14H,7-9H2,1-2H3;1H

Composition: C (58.65%), H (8.20%), Cl (14.43%), N (5.70%), O (13.02%)

Molar Mass: 245.75

Atom Count: 36

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 245.1182566
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CZCJROGRQJGVEF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.24
Topological Polar Surface Area 41.49
Polarizability 24.12
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 2102412-81-5 $204.12-$2,143.26$204.12$357.21$714.42$2,143.26
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