Chemical ID: 4972241

c1ccc(cc1)CCNC(=N)N
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

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Descriptor Annotations

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