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Chemical ID: 5054177
Chemical ID:
5054177
Name [?]:
N-(4-pyridylmethyl)ethane-1,2-diamine
SMILES [?]:
c1cnccc1CNCCN
InChi [?]:
InChI=1/C8H13N3/c9-3-6-11-7-8-1-4-10-5-2-8/h1-2,4-5,11H,3,6-7,9H2
InChi Info:
AuxInfo=1/0/N:1,5,10,2,4,9,7,6,11,3,8/E:(1,2)(4,5)/rA:11nCCNCCCCNCCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H13N3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.45731 |
Area: | 337.642 |
Solvation: | -1.98374 |
Coulombic: | -25.3267 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 151.209 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | -0.49 |
LogP (Chemaxon): | -0.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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