chempirical

Heptylamine

C7H17NCAS 111-68-2115.22 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C7H17N
Molar mass
115.22 g/mol
Exact mass
115.1361 Da
Density
0.8073 g/mL (at 20 °C)
Melting point
−18 °C
Boiling point
156 °C
logP
1.92Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
111-68-2
SMILES
CCCCCCCN
InChIKey
WJYIASZWHGOTOU-UHFFFAOYSA-N
InChI
InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 1-Heptanamine
  • n-Heptylamine
  • 1-Aminoheptane
  • 1-Heptylamine
  • NSC 2074

Reactions

Work with Heptylamine

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

Similar compounds

Dodecylamine124-22-1100 % similar Octadecylamine124-30-1100 % similar Hexadecylamine143-27-1100 % similar Tetradecylamine2016-42-4100 % similar Decylamine2016-57-1100 % similar Pentadecylamine2570-26-5100 % similar Tridecanamine2869-34-3100 % similar Heptadecylamine4200-95-7100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Dimethylamylamine105-41-9 2-Aminoheptane123-82-0 4-Heptanamine16751-59-0 1,4-Dimethylpentylamine28292-43-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook