CAS: 111-69-3
名称: hexanedinitrile
SMILES:
C(CCC#N)CC#NMolecular Processing
Molecular formula
C6H8N2
Molecular weight
108.14
Exact mass
108.0687
XLogP
1.59
TPSA
47.58
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
29.69
Supplementary Information
InChIKey: BTGRAWJCKBQKAO-UHFFFAOYSA-N
同義語
ADIPONITRILEHexanedinitrile1,4-Dicyanobutane111-69-3AdipodinitrileAdipyldinitrileAdipic acid dinitrileNitrile adipicoTetramethylene dicyanideTetramethylene cyanideAdipic acid nitrileAdipinsaeuredinitrilHexanedioic acid, dinitrileDTXSID3021936SYT33B891INSC-7617DTXCID201936adiponitrilRefChem:915174203-896-3NSC 7617MFCD00001975butane-1,4-dicarbonitrileNitrile adipico [Italian]Adipinsaeuredinitril [German]CAS-111-69-3CCRIS 4570HSDB 627EINECS 203-896-3Hexanedioic acid dinitrile
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