Chemical ID: 3966021

CC(C)NCC(c1ccc(c(c1)C#N)N)O
Chemical ID:
3966021
Name [?]:
2-amino-5-(1-hydroxy-2-isopropylamino-ethyl)-benzonitrile
SMILES [?]:
CC(C)NCC(c1ccc(c(c1)C#N)N)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H17N3O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.76807
Area:432.646
Solvation:-3.04807
Coulombic:-45.7036
Bond Count [?]
All:16
Single:12
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:219.283
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:1.15
LogP (Chemaxon):0.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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