Chemical ID: 5033723

CN(CC#N)c1ccccc1
Chemical ID:
5033723
Name [?]:
2-(methyl-phenyl-amino)acetonitrile
SMILES [?]:
CN(CC#N)c1ccccc1
InChi [?]:
InChI=1/C9H10N2/c1-11(8-7-10)9-5-3-2-4-6-9/h2-6H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,7,11,4,3,6,5,2/E:(3,4)(5,6)/rA:11cCNCCNCCCCCC/rB:s1;s2;s3;t4;s2;s6;d7;s8;d9;d6s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:6.30492
Area:323.15
Solvation:-1.77383
Coulombic:-10.5794
Bond Count [?]
All:11
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:146.189
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.72
LogP (Chemaxon):2.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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