C1C2CC3CC1CC(C2)(C3)N=C=O
CAS: 4411-25-0
Name: 1-isocyanatoadamantane
SMILES: C1C2CC3CC1CC(C2)(C3)N=C=O

Molecular Processing

Molecular formula
C11H15NO
Molecular weight
177.25
Exact mass
177.1154
XLogP
2.29
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
49.02

Supplementary Information

InChIKey: VBHCPGFCIQDXGZ-UHFFFAOYSA-N
Synonyme
4411-25-01-isocyanatoadamantaneDTXSID90366127RefChem:433334DTXCID20317167628-215-01-Adamantyl isocyanate1-adamantylisocyanateMFCD001344051-isocyanato-adamantaneTricyclo[3.3.1.13,7]decane, 1-isocyanato-adamantanisocyanate1-Isocyanatotricyclo[3.3.1.13,7]decane; 1-Adamantane Isocyanate; 1-Adamantanyl Isocyanate; 1-Isocyanatoadamantane; Adamantyl IsocyanateAdamantyl isocyanate1-Isocyantoadamantane1-Adamantyl-isocyanateAdamantane, 1-isocyanato-Oprea1_117454SCHEMBL75443SCHEMBL757761-Adamantyl isocyanate, 97%SCHEMBL20733439Isocyanic Acid 1-Adamantyl EsterHMS1787B22ALBB-005844GEO-00052STK301760AKOS000202536AKOS037643260AB03739
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