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Chemical ID: 4122163
Chemical ID:
4122163
Name [?]:
N-methyl-N-phenyl-propane-1,3-diamine
SMILES [?]:
CN(CCCN)c1ccccc1
InChi [?]:
InChI=1/C10H16N2/c1-12(9-5-8-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,4,8,12,5,3,7,6,2/E:(3,4)(6,7)/rA:12cCNCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s2;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.44064 |
Area: | 354.015 |
Solvation: | -1.40974 |
Coulombic: | -19.8079 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 164.248 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.81 |
LogP (Chemaxon): | 1.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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