Chemical ID: 4122163

CN(CCCN)c1ccccc1
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue