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Chemical ID: 5257702
Chemical ID:
5257702
Name [?]:
(ethoxycarbonylmethyl-dimethyl-ammonio)-dihydrido-trimethylammonio-boron
SMILES [?]:
[BH2+]([N+](C)(C)C)[N+](C)(C)CC(=O)OCC
InChi [?]:
InChI=1/C9H24BN2O2/c1-7-14-9(13)8-12(5,6)10-11(2,3)4/h7-8,10H2,1-6H3/q+3
InChi Info:
AuxInfo=1/0/N:14,3,4,5,7,8,13,9,10,1,2,6,11,12/E:(2,3,4)(5,6)/CRV:10+1.4,11+1,12+1/rA:14nB4+N+CCCN+CCCCOOCC/rB:s1;s2;s2;s2;s1;s6;s6;s6;s9;d10;s10;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H24BN2O2+3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.0 |
Area: | 0.0 |
Solvation: | 0.0 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 203.11 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | -2.23 |
LogP (Chemaxon): | -6.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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