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

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

CAS: 913723-61-2

Formula: C14H19ClN4O2

SMILES: NC(=O)[C@H](CCCNC(=N)CCl)NC(=O)C1=CC=CC=C1

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

InChI: InChI=1S/C14H19ClN4O2/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)/t11-/m0/s1

Composition: C (54.11%), H (6.16%), Cl (11.41%), N (18.03%), O (10.30%)

Molar Mass: 310.78

Atom Count: 40

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 310.1196536
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 4
InChIKey BPWATVWOHQZVRP-NSHDSACASA-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
94% <2 Days 913723-61-2 $112.70-$1,952.70$112.70$572.70$802.70$1,147.70$1,952.70
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