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ethyl[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]amine hydrochloride

ethyl[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]amine hydrochloride

CAS: 1268990-50-6

Formula: C12H18ClN3O

SMILES: Cl.CCNCCC1=NC2=CC(OC)=CC=C2N1

IUPAC: ethyl[2-(5-methoxy-1H-1,3-benzodiazol-2-yl)ethyl]amine hydrochloride

InChI: InChI=1S/C12H17N3O.ClH/c1-3-13-7-6-12-14-10-5-4-9(16-2)8-11(10)15-12;/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,15);1H

Composition: C (56.36%), H (7.09%), Cl (13.86%), N (16.43%), O (6.26%)

Molar Mass: 255.75

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 255.1138399
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey KBPKULDSFVKXMU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.45
Topological Polar Surface Area 49.94
Polarizability 25.99
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1268990-50-6 $28.75-$1,189.10$28.75$116.15$234.60$1,189.10
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