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Chemical ID: 3965822
Chemical ID:
3965822
Name [?]:
2-carbamoyloxyethyl-trimethyl-ammonium
SMILES [?]:
C[N+](C)(C)CCOC(=O)N
InChi [?]:
InChI=1/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
InChi Info:
AuxInfo=1/5/N:1,3,4,5,6,8,10,2,9,7/E:(1,2,3)/CRV:8+1,9-1/rA:10nCN+CCCCOCON/rB:s1;s2;s2;s2;s5;s6;s7;d8;s8;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H15N2O2+ |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.2995 |
Area: | 308.83 |
Solvation: | -30.0202 |
Coulombic: | -11.7229 |
Bond Count [?]
All: | 9 |
Single: | 8 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 147.196 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -2.06 |
LogP (Chemaxon): | -5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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