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Chemical ID: 7972678
Chemical ID:
7972678
Name [?]:
(1-methylimidazol-2-yl)methanamine
SMILES [?]:
Cn1ccnc1CN
InChi [?]:
InChI=1/C5H9N3/c1-8-3-2-7-5(8)4-6/h2-3H,4,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,7,6,8,5,2/rA:8nCNCCNCCN/rB:s1;s2;d3;s4;s2d5;s6;s7;/rC:-.0178,1.4608,.0101;.0021,-.0041,.002;.0086,-.8102,-1.1042;.0285,-2.0813,-.6599;.0339,-2.0521,.681;.0233,-.8111,1.0845;.025,-.3545,2.5207;1.4104,-.1929,2.9815;
Chemical Details
Atom Count
Formula: | C5H9N3 |
All Atoms: | 17 |
Heavy Atoms: | 8 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.55382 |
Area: | 261.948 |
Solvation: | -1.99488 |
Coulombic: | -21.7707 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 111.145 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | -0.6 |
LogP (Chemaxon): | -0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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