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2-(4-{[(2R)-2-aminobutyl]amino}quinazolin-2-yl)-4-chlorophenol

2-(4-{[(2R)-2-aminobutyl]amino}quinazolin-2-yl)-4-chlorophenol

CAS: 956121-30-5

Formula: C18H19ClN4O

SMILES: CC[C@@H](N)CNC1=NC(=NC2=CC=CC=C12)C1=C(O)C=CC(Cl)=C1

IUPAC: 2-(4-{[(2R)-2-aminobutyl]amino}quinazolin-2-yl)-4-chlorophenol

InChI: InChI=1S/C18H19ClN4O/c1-2-12(20)10-21-17-13-5-3-4-6-15(13)22-18(23-17)14-9-11(19)7-8-16(14)24/h3-9,12,24H,2,10,20H2,1H3,(H,21,22,23)/t12-/m1/s1

Composition: C (63.06%), H (5.59%), Cl (10.34%), N (16.34%), O (4.67%)

Molar Mass: 342.83

Atom Count: 43

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 342.1247389
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey KTDRFFCAMFPUFZ-GFCCVEGCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 108.4
Topological Polar Surface Area 84.06
Polarizability 38.83
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 956121-30-5 $63.45-$567.18$63.45$90.96$130.71$235.44$378.38$567.18
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