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5-(2-chloroethanimidamido)-2-(phenylformamido)pentanamide hydrochloride

5-(2-chloroethanimidamido)-2-(phenylformamido)pentanamide hydrochloride

CAS: 1965308-77-3

Formula: C14H20Cl2N4O2

SMILES: Cl.NC(=O)C(CCCNC(=N)CCl)NC(=O)C1=CC=CC=C1

IUPAC: 5-(2-chloroethanimidamido)-2-(phenylformamido)pentanamide hydrochloride

InChI: InChI=1/C14H19ClN4O2.ClH/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21);1H

Composition: C (48.43%), H (5.81%), Cl (20.42%), N (16.14%), O (9.21%)

Molar Mass: 347.24

Atom Count: 42

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 346.0963313
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 4
InChIKey OPFMEGSAOZAJIV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.81
Topological Polar Surface Area 108.07
Polarizability 31
Ring Count 1
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1965308-77-3 $201.25-$4,597.70$201.25$286.35$457.70$687.70$1,147.70$4,597.70
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