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Chemical ID: 6048081
Chemical ID:
6048081
Name [?]:
1-(1-naphthylmethyl)guanidine
SMILES [?]:
c1ccc2c(c1)cccc2CNC(=N)N
InChi [?]:
InChI=1/C12H13N3/c13-12(14)15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H4,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,9,3,11,5,10,4,13,14,15,12/E:(13,14)/rA:15nCCCCCCCCCCCNCNN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;w13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13N3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.5921 |
Area: | 380.209 |
Solvation: | -1.91313 |
Coulombic: | -41.5044 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 199.252 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 3 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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