CC(C)(C)N=C=O
CAS: 1609-86-5
Name: 2-isocyanato-2-methylpropane
SMILES: CC(C)(C)N=C=O

Molecular Processing

Molecular formula
C5H9NO
Molecular weight
99.13
Exact mass
99.0684
XLogP
1.12
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
7
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
0.8
Molar refractivity
27.87

Supplementary Information

InChIKey: MGOLNIXAPIAKFM-UHFFFAOYSA-N
Synonyme
TERT-BUTYL ISOCYANATE1609-86-52-Isocyanato-2-methylpropanePropane, 2-isocyanato-2-methyl-t-butylisocyanate1,1-Dimethylethyl isocyanateIsocyanic acid, tert-butyl ester2RHQ1BS36DDTXSID6061818RefChem:894669DTXCID3035181216-544-9tert-butylisocyanateT-BUTYL ISOCYANATE2-isocyanato-2-methyl-propaneIsocyanic Acid tert-Butyl EsterMFCD00002035Butyl isocyanate, Tert-UNII-2RHQ1BS36DCCRIS 3590t-butyl-isocynatetertbutylisocyanatet-butyl-isocyanatetBuNCOtertbutyl isocyanatet-Butyl Ester Isocyanic Acid; 2-Isocyanato-2-methylpropane; 1,1-Dimethylethyl Isocyanate; tert-Butyl Isocyanate; 2-Isocyanato-2-methyl-propane;EINECS 216-544-9UN2484tert-butyl-isocyanatetert.-butyl isocyanate
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