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Chemical ID: 6422247
Chemical ID:
6422247
Name [?]:
ethyl 2-aminocyclohexane-1-carboxylate
SMILES [?]:
CCOC(=O)C1CCCCC1N
InChi [?]:
InChI=1/C9H17NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8H,2-6,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,9,7,10,6,11,4,12,5,3/rA:12cCCOCOCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.59763 |
Area: | 341.006 |
Solvation: | -1.92752 |
Coulombic: | -30.8754 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 171.237 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.49 |
LogP (Chemaxon): | 0.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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