Chemical ID: 3968317

C(CCN)CN
Chemical ID:
3968317
Name [?]:
butane-1,4-diamine
SMILES [?]:
C(CCN)CN
InChi [?]:
InChI=1/C4H12N2/c5-3-1-2-4-6/h1-6H2
InChi Info:
AuxInfo=1/0/N:1,2,5,3,6,4/E:(1,2)(3,4)(5,6)/rA:6nCCCNCN/rB:s1;s2;s3;s1;s5;/rC:;;;;;;

Chemical Details

Atom Count
Formula:C4H12N2
All Atoms:6
Heavy Atoms:6
Chiral Atoms:0
ZAP Information [?]
Total:5.38414
Area:254.41
Solvation:-0.976114
Coulombic:-24.5941
Bond Count [?]
All:5
Single:5
Double:0
Rotors:3
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:88.1516
H-Bond Donors:4
H-Bond Acceptors:2
XLogP:-0.63
LogP (Chemaxon):-0.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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