1-((1S)-1-Isocyanatoethyl)naphthalene
Properties
- Molecular formula
- C13H11NO
- Molar mass
- 197.24 g/mol
- Exact mass
- 197.0841 Da
- logP
- 3.24Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
73671-79-1SMILES
C[C@@H](C1=CC=CC2=CC=CC=C21)N=C=OInChIKey
GONOHGQPZFXJOJ-JTQLQIEISA-NInChI
InChI=1S/C13H11NO/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3/t10-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (S)-(+)-1-(1-Naphthyl)ethyl isocyanate
Work with 1-((1S)-1-Isocyanatoethyl)naphthalene
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(-)-α-Methylbenzyl isocyanate14649-03-754 % similar
(+)-α-Methylbenzyl isocyanate33375-06-354 % similar
(-)-1-(1-Naphthyl)ethylamine10420-89-046 % similar
1-(Naphthalen-1-yl)ethan-1-ol15914-84-846 % similar
(+)-1-(1-Naphthyl)ethylamine3886-70-246 % similar
(R)-(+)-Alpha-methyl-1-naphthalenemethanol42177-25-346 % similar
1-(1-Naphthyl)ethylamine42882-31-546 % similar
1-Naphthyl isocyanate86-84-046 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds