chempirical

P-Xylylenediamine

C8H12N2CAS 539-48-0136.20 g/mol

Open in Covalent MOL file
H2NNH2
Primary amine

Properties

Molecular formula
C8H12N2
Molar mass
136.20 g/mol
Exact mass
136.1000 Da
Melting point
63 °C
Boiling point
111 °C (at 2 Torr)
logP
0.60Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
539-48-0
SMILES
NCc1ccc(CN)cc1
InChIKey
ISKQADXMHQSTHK-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6,9-10H2

Weigh it out

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

Names and synonyms

15 names · show all
  • 1,4-Benzenedimethanamine
  • p-Xylene-α,α′-diamine
  • 4-Aminomethylbenzylamine
  • 1,4-Xylylenediamine
  • p-Bis(aminomethyl)benzene
  • 1,4-Bis(aminomethyl)benzene
  • p-Phenylenedi(methylamine)
  • α,α′-Diamino-p-xylene
  • Euredur 14
  • p-Aminomethylbenzylamine
  • Shoamine P
  • PXDA
  • 1,4-Phenylenedimethanamine
  • p-Xylene diamine
  • [4-(Aminomethyl)phenyl]methanamine

Work with P-Xylylenediamine

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

4-Aminobenzylamine4403-71-871 % similar Benzylamine100-46-969 % similar 4-Methylbenzylamine104-84-767 % similar 4-Chlorobenzylamine104-86-967 % similar 4-Fluorobenzylamine140-75-067 % similar 4-Bromobenzenemethanamine3959-07-767 % similar 4-Iodobenzylamine39959-59-667 % similar 4-Hydroxybenzylamine696-60-667 % similar

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

Same formula

Tetramethylpyrazine1124-11-4 2,5-Diethylpyrazine13238-84-1 2-(4-Aminophenyl)ethylamine13472-00-9 2-Ethyl-3,5-dimethylpyrazine13925-07-0 M-Xylylenediamine1477-55-0 2,3-Diethylpyrazine15707-24-1 2,3-Dimethyl-5-ethylpyrazine15707-34-3 2-Methyl-3-propylpyrazine15986-80-8

Elsewhere

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