C(CCN=C=O)CN=C=O
CAS: 4538-37-8
Name: 1,4-diisocyanatobutane
SMILES: C(CCN=C=O)CN=C=O

Molecular Processing

Molecular formula
C6H8N2O2
Molecular weight
140.14
Exact mass
140.0586
XLogP
0.44
TPSA
58.86
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
35.21

Supplementary Information

InChIKey: OVBFMUAFNIIQAL-UHFFFAOYSA-N
Synonyme
Butane, 1,4-diisocyanato-RefChem:570742610-246-61,4-Diisocyanatobutane4538-37-81,4-ButanediisocyanateTetramethylene diisocyanateMFCD00075559NSC 510650NSC5106501,4-butane diisocyanate1,4-diisocyanato-butanebutane-1,4-diisocyanate1,4-Diisocyanatobutane #SCHEMBL20391SCHEMBL3691715CHEMBL1403480DTXSID903255521,4-Diisocyanatobutane, 97.0%GEO-03216SBB069549AKOS028111419FD00747NSC-510650NCGC00166001-01BS-22672SY104491NS00124204E78129F849408
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