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Chemical ID: 5256916
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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