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Chemical ID: 4972241
Chemical ID:
4972241
Name [?]:
1-phenethylguanidine
SMILES [?]:
c1ccc(cc1)CCNC(=N)N
InChi [?]:
InChI=1/C9H13N3/c10-9(11)12-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,8,4,10,11,12,9/E:(2,3)(4,5)(10,11)/rA:12nCCCCCCCCNCNN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;w10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13N3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16442 |
Area: | 353.083 |
Solvation: | -1.66267 |
Coulombic: | -40.8952 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 163.22 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 3 |
XLogP: | 1.69 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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