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5-carbamimidamido-2-(phenylformamido)pentanoic acid hydrochloride

5-carbamimidamido-2-(phenylformamido)pentanoic acid hydrochloride

Formula: C13H19ClN4O3

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

IUPAC: 5-carbamimidamido-2-(phenylformamido)pentanoic acid hydrochloride

InChI: InChI=1/C13H18N4O3.ClH/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16);1H

Composition: C (49.61%), H (6.08%), Cl (11.26%), N (17.80%), O (15.25%)

Molar Mass: 314.77

Atom Count: 40

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 314.1145682
Formal Charge 0
FSP3 0.31
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 5
InChIKey LSLUHKRVLRTIBV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.04
Topological Polar Surface Area 128.3
Polarizability 27.78
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C13H19ClN4O3 $140.25-$343.15$140.25$343.15
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