Chemical ID: 6505599

CCOC(=O)CC1CCC(CC1)[NH3+]
Chemical ID:
6505599
Name [?]:
[4-(ethoxycarbonylmethyl)cyclohexyl]ammonium
SMILES [?]:
CCOC(=O)CC1CCC(CC1)[NH3+]
InChi [?]:
InChI=1/C10H19NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h8-9H,2-7,11H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,2,8,12,9,11,6,7,10,4,13,5,3/E:(3,4)(5,6)/rA:13nCCOCOCCCCCCCN+/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s7s11;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H20NO2+
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-30.3948
Area:372.067
Solvation:-39.6964
Coulombic:23.4951
Bond Count [?]
All:13
Single:12
Double:1
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:186.271
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.21
LogP (Chemaxon):0.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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