(±)-2-Octanamine

C8H19NCAS 693-16-3129.25 g/mol

Open in Covalent MOL file
NH2
Primary amine

Properties

Molecular formula
C8H19N
Molar mass
129.25 g/mol
Exact mass
129.1517 Da
Density
0.7829 g/mL (at 20 °C)
Melting point
82–83 °C
Boiling point
48 °C (at 9 Torr)
logP
2.30Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Acute Toxic (GHS06)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
693-16-3
SMILES
CCCCCCC(C)N
InChIKey
HBXNJMZWGSCKPW-UHFFFAOYSA-N
InChI
InChI=1S/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • 2-Octanamine
  • Heptylamine, 1-methyl-
  • 2-Aminooctane
  • 2-Octylamine
  • 1-Methylheptylamine
  • (±)-2-Aminooctane
  • Dl-2-Octylamine
  • Dl-2-Aminooctane
  • (RS)-1-methylheptylamine
  • (RS)-2-Octylamine
  • (±)-2-Octylamine
  • NSC 76546

Work with (±)-2-Octanamine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Aminoheptane123-82-095 % similar (R)-2-Aminohexane70095-40-881 % similar (S)-2-Aminohexane70492-67-081 % similar 2-Pentanamine63493-28-764 % similar Isododecane31807-55-354 % similar 2-Methyloctane3221-61-254 % similar 2-Methyldecane6975-98-054 % similar 2-Methylundecane7045-71-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylhexylamine104-75-6 2,4,4-Trimethyl-2-pentanamine107-45-9 Diisobutylamine110-96-3 Octylamine111-86-4 Dibutylamine111-92-2 N,N-Dimethylhexylamine4385-04-0 (±)-1,5-Dimethylhexylamine543-82-8 N-(1-Methylpropyl)-2-butanamine626-23-3

Elsewhere

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