(±)-1,5-Dimethylhexylamine

C₈H₁₉NCAS 543-82-8129.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₉N
Molar mass: 129.25 g/mol
Exact mass: 129.1517 Da
Melting point: below 25 °C
Boiling point: 155 °C
logP: 2.16Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage11.4% of notifiers
H315 Causes skin irritation88.6% of notifiers
H319 Causes serious eye irritation88.6% of notifiers
H335 May cause respiratory irritation86.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

543-82-8

SMILES

CC(C)CCCC(C)N

InChIKey

QNIVIMYXGGFTAK-UHFFFAOYSA-N

InChI

InChI=1S/C8H19N/c1-7(2)5-4-6-8(3)9/h7-8H,4-6,9H2,1-3H3

Weigh it out

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

Names and synonyms

23 names · show all

2-Heptanamine, 6-methyl-
Hexylamine, 1,5-dimethyl-
6-Methyl-2-heptanamine
SKF 51
Amidrine
2-Amino-6-methylheptane
α,ε-Dimethylhexylamine
1,5-Dimethylhexylamine
2-Methyl-6-aminoheptane
6-Methyl-2-heptylamine
6-Amino-2-methylheptane
Octodrine
Vaporpac
2-Isooctylamine
Octodrin
Isoctaminum
Dl-2-Isooctylamine
(±)-6-Methyl-2-heptanamine
Dl-2-Amino-6-methylheptane
(±)-2-Amino-6-methylheptane
1,5-Dimethylhexanamine
DMHA
Dimethylhexylamine

Work with (±)-1,5-Dimethylhexylamine

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

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.

(1,5-Dimethylhexyl)ammonium chloride5984-59-8Salt

Similar compounds

1,4-Dimethylpentylamine28292-43-570 % similar (R)-2-Aminohexane70095-40-857 % similar (S)-2-Aminohexane70492-67-057 % similar 2-Aminoheptane123-82-054 % similar 2,7-Dimethyloctane1072-16-853 % similar 1,3-Dimethylbutylamine108-09-850 % similar Pristane1921-70-650 % similar Squalane111-01-348 % 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 N-(1-Methylpropyl)-2-butanamine626-23-3 (±)-2-Octanamine693-16-3

Elsewhere

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