M-Xylylenediamine
Properties
- Molecular formula
- C8H12N2
- Molar mass
- 136.20 g/mol
- Exact mass
- 136.1000 Da
- Density
- 1.05 g/mL
- Melting point
- 14.1 °C
- Boiling point
- 247 °C
- Water solubility
- miscible
- logP
- 0.60Crippen estimate
- Polar surface area
- 52.0 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed97.5% of notifiers
- H312 Harmful in contact with skin18.7% of notifiers
- H314 Causes severe skin burns and eye damage99.5% of notifiers
- H317 May cause an allergic skin reaction97.4% of notifiers
- H318 Causes serious eye damage26.2% of notifiers
- H330 Fatal if inhaled16.6% of notifiers
- H331 Toxic if inhaled43% of notifiers
- H332 Harmful if inhaled37.6% of notifiers
- H412 Harmful to aquatic life with long lasting effects89.3% of notifiers
Aggregated from 1,105 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
1477-55-0SMILES
NCc1cccc(CN)c1InChIKey
FDLQZKYLHJJBHD-UHFFFAOYSA-NInChI
InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
21 names · show all
- 3-(Aminomethyl)benzylamine
- 1,3-Benzenebis(methylamine)
- MXDA
- Euredur 22
- Epilink MX
- NSC 61568
- Shoamine X
- Benzene-1,3-diyldimethanamine
- m-Xylylene-α,α′-diamine
- Aramine 31-487
- m-Xylene diamine
- Aradur 22
- 1,3-Phenylenedimethanamine
- [3-(Aminomethyl)phenyl]methanamine
- 1,3-Benzenedimethanamine
- m-Xylene-α,α′-diamine
- 1,3-Xylylenediamine
- α,α′-m-Xylenediamine
- m-(α,α′-Diamino)xylene
- 1,3-Bis(aminomethyl)benzene
- α,α′-Diamino-m-xylene
Work with M-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3-Fluorobenzylamine100-82-368 % similar
3-Chlorobenzylamine4152-90-368 % similar
3-Aminobenzylamine4403-70-768 % similar
3-Methylbenzylamine100-81-265 % similar
3-Bromobenzylamine10269-01-965 % similar
3-Iodobenzylamine696-40-265 % similar
Benzylamine100-46-963 % similar
3-(Trifluoromethyl)benzylamine2740-83-258 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.