chempirical

1,3-Bac

C8H18N2CAS 2579-20-6142.25 g/mol

Open in Covalent MOL file
H2NH2N
Primary amine

Properties

Molecular formula
C8H18N2
Molar mass
142.25 g/mol
Exact mass
142.1470 Da
Melting point
below −70 °C
Boiling point
220 °C
logP
0.71Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
2579-20-6
SMILES
NCC1CCCC(CN)C1
InChIKey
QLBRROYTTDFLDX-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2

Weigh it out

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

Names and synonyms

13 names · show all
  • 1,3-Cyclohexanedimethanamine
  • 1,3-Cyclohexanebis(methylamine)
  • 1,3-Di(aminomethyl)cyclohexane
  • 1,3-Bis(aminomethyl)cyclohexane
  • m-Bis(aminomethyl)cyclohexane
  • [[3-(Aminomethyl)cyclohexyl]methyl]amine
  • 1,3-Bis(methylamine)cyclohexane
  • B 2413
  • Baxxodur EC 2120
  • Hydrogenated m-xylylenediamine
  • [3-(Aminomethyl)cyclohexyl]methanamine
  • 1,3-Cyclohexanedimethylamine
  • Daitocurar B 2413

Work with 1,3-Bac

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

Cyclobutanemethanamine4415-83-275 % similar Cyclobutylmethylamine hydrochloride5454-82-063 % similar Cyclohexanemethanamine3218-02-861 % similar Cyclopropanemethanamine2516-47-453 % similar 3-(Aminomethyl)piperidine23099-21-046 % similar 2-Ethylhexylamine104-75-644 % similar 4-Aminomethyltetrahydropyran130290-79-841 % similar 4-(Aminomethyl)piperidine7144-05-041 % similar

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

Same formula

1-(1-Methylethyl)-4-piperidinamine127285-08-9 2-(1-Methylpiperidin-4-yl)ethanamine20845-38-9 1,4-Cyclohexanedimethanamine2549-93-1 1-(1-Methylpropyl)piperazine34581-21-0 1-Piperidinepropanamine3529-08-6 N1,N1,N4,N4-Tetramethyl-2-butene-1,4-diamine4559-79-9 1,4-Diethylpiperazine6483-50-7 trans-N,N′-Dimethyl-1,2-cyclohexanediamine67579-81-1

Elsewhere

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