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1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanamine

1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanamine

CAS: 893639-11-7

Formula: C11H12N2O

SMILES: CC1=CC=C(C=C1)C1=CC(CN)=NO1

IUPAC: 1-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanamine

InChI: InChI=1S/C11H12N2O/c1-8-2-4-9(5-3-8)11-6-10(7-12)13-14-11/h2-6H,7,12H2,1H3

Composition: C (70.19%), H (6.43%), N (14.88%), O (8.50%)

Molar Mass: 188.23

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 188.094963014
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XUZAZIRLRAUPST-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.51
Topological Polar Surface Area 52.05
Polarizability 22.43
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 893639-11-7 $127.40$127.40
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