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benzyl[(4-methyl-1,3-thiazol-5-yl)methyl]amine dihydrochloride

benzyl[(4-methyl-1,3-thiazol-5-yl)methyl]amine dihydrochloride

CAS: 1269053-96-4

Formula: C12H16Cl2N2S

SMILES: Cl.Cl.CC1=C(CNCC2=CC=CC=C2)SC=N1

IUPAC: benzyl[(4-methyl-1,3-thiazol-5-yl)methyl]amine dihydrochloride

InChI: InChI=1S/C12H14N2S.2ClH/c1-10-12(15-9-14-10)8-13-7-11-5-3-2-4-6-11;;/h2-6,9,13H,7-8H2,1H3;2*1H

Composition: C (49.49%), H (5.54%), Cl (24.34%), N (9.62%), S (11.01%)

Molar Mass: 291.23

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 290.0411251
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey INSPIMJLCSHZOG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.5
Topological Polar Surface Area 24.92
Polarizability 24.66
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1269053-96-4 $28.75-$581.90$28.75$93.15$177.10$581.90$581.90
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