Chemical ID: 5257702

[BH2+]([N+](C)(C)C)[N+](C)(C)CC(=O)OCC
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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