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Chemical ID: 7245669
Chemical ID:
7245669
Name [?]:
N-benzyl-N-methyl-propane-1,3-diamine
SMILES [?]:
CN(CCCN)Cc1ccccc1
InChi [?]:
InChI=1/C11H18N2/c1-13(9-5-8-12)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,4,9,13,5,3,7,8,6,2/E:(3,4)(6,7)/rA:13cCNCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s2;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H18N2 |
All Atoms: | 31 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.86539 |
Area: | 377.942 |
Solvation: | -1.58317 |
Coulombic: | -18.8378 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 178.274 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.36 |
LogP (Chemaxon): | 1.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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