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Chemical ID: 4948374
Chemical ID:
4948374
Name [?]:
N-isobutyl-2-methyl-N-nitroso-propan-1-amine
SMILES [?]:
CC(C)CN(CC(C)C)N=O
InChi [?]:
InChI=1/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,4,6,2,7,10,5,11/E:(1,2,3,4)(5,6)(7,8)/rA:11nCCCCNCCCCNO/rB:s1;s2;s2;s4;s5;s6;s7;s7;s5;d10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H18N2O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.70533 |
Area: | 341.94 |
Solvation: | -0.843171 |
Coulombic: | -5.87235 |
Bond Count [?]
All: | 10 |
Single: | 9 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 158.241 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.88 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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