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3-chloro-2-methyl-N-[3-(morpholin-4-yl)propyl]-4,6-dinitroaniline

3-chloro-2-methyl-N-[3-(morpholin-4-yl)propyl]-4,6-dinitroaniline

Formula: C14H19ClN4O5

SMILES: CC1=C(NCCCN2CCOCC2)C(=CC(=C1Cl)[N+]([O-])=O)[N+]([O-])=O

IUPAC: 3-chloro-2-methyl-N-[3-(morpholin-4-yl)propyl]-4,6-dinitroaniline

InChI: InChI=1S/C14H19ClN4O5/c1-10-13(15)11(18(20)21)9-12(19(22)23)14(10)16-3-2-4-17-5-7-24-8-6-17/h9,16H,2-8H2,1H3

Composition: C (46.87%), H (5.34%), Cl (9.88%), N (15.62%), O (22.30%)

Molar Mass: 358.78

Atom Count: 43

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 358.1043974
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey XWPCNLVACVSODG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.7
Topological Polar Surface Area 110.78
Polarizability 33.43
Ring Count 2
Rotatable Bond Count 7

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H19ClN4O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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