chempirical

Hexyl isocyanate

C7H13NOCAS 2525-62-4127.19 g/mol

Open in Covalent MOL file
NO

Properties

Molecular formula
C7H13NO
Molar mass
127.19 g/mol
Exact mass
127.0997 Da
Boiling point
162.5–164 °C
logP
1.90Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
2525-62-4
SMILES
CCCCCCN=C=O
InChIKey
ANJPRQPHZGHVQB-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Hexane, 1-isocyanato-
  • Isocyanic acid, hexyl ester
  • 1-Isocyanatohexane
  • 1-Hexyl isocyanate
  • n-Hexyl isocyanate

Work with Hexyl isocyanate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

tert-Butylacrylamide107-58-4 Cyclohexanecarboxamide1122-56-1 N-Isopropylmethacrylamide13749-61-6 (±)-3-Quinuclidinol1619-34-7 1-Aza-2-methoxy-1-cycloheptene2525-16-8 (R)-3-Quinuclidinol25333-42-0 N-Methylcaprolactam2556-73-2 1-Ethyl-4-piperidinone3612-18-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook