Chemical ID: 5256916

CN(CC#N)Cc1ccccc1
Chemical ID:
5256916
Name [?]:
2-(benzyl-methyl-amino)acetonitrile
SMILES [?]:
CN(CC#N)Cc1ccccc1
InChi [?]:
InChI=1/C10H12N2/c1-12(8-7-11)9-10-5-3-2-4-6-10/h2-6H,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,8,12,4,3,6,7,5,2/E:(3,4)(5,6)/rA:12cCNCCNCCCCCCC/rB:s1;s2;s3;t4;s2;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.62863
Area:346.804
Solvation:-2.04146
Coulombic:-9.25068
Bond Count [?]
All:12
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:160.216
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.27
LogP (Chemaxon):1.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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