Chemical ID: 7512486

CCCCN(C)Cc1ccc(o1)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
7512486
Name [?]:
N-methyl-N-[[5-(4-nitrophenyl)-2-furyl]methyl]butan-1-amine
SMILES [?]:
CCCCN(C)Cc1ccc(o1)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H20N2O3/c1-3-4-11-17(2)12-15-9-10-16(21-15)13-5-7-14(8-6-13)18(19)20/h5-10H,3-4,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,2,3,14,18,15,17,9,10,4,7,13,16,8,11,5,19,20,21,12/E:(5,6)(7,8)(19,20)/CRV:18.5/rA:21cCCCCNCCCCCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s15;d16;d13s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O3
All Atoms:41
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:5.52008
Area:520.925
Solvation:-7.50304
Coulombic:-25.5637
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.54
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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