Compound: m-Xylylenediamine
SMILES: NCc1cc(ccc1)CN
InChIKey: FDLQZKYLHJJBHD-UHFFFAOYSA-N
Synonyms: m-Xylylenediamine, 1477-55-0, 1,3-BENZENEDIMETHANAMINE, 1,3-Bis(aminomethyl)benzene, 1,3-Xylylenediamine, m-Xylylendiamin, m-Phenylenebis(methylamine), Methylamine, m-phenylenebis-, alpha,alpha'-Diamino-m-xylene, m-Xylene-alpha,alpha'-diamine, 1,3-Bis-aminomethylbenzen, 3-(Aminomethyl)benzylamine, Epilink MX, m-Xylylendiamin [Czech], m-Xylene-.alpha.,.alpha.'-diamine, NSC 61568, CCRIS 6681, DTXSID9029649, HSDB 6257, 1,3-Bis-aminomethylbenzen [Czech], EINECS 216-032-5, 1E84B9YLJD, BRN 1099911, AI3-25033, .alpha.,.alpha.'-m-Xylenediamine, .alpha.,.alpha.'-Diamino-m-xylene, NSC-61568, XYLENEDIAMINE, M-, 1,3-Benzenebis(methylamine), DTXCID909649, EC 216-032-5, 1,3-BENZENEDIMETHANAMINE [HSDB], M-XYLYLENDIAMIN (CZECH), Euredur 22, 1,3-BIS-AMINOMETHYLBENZEN (CZECH), mXylylendiamin, mXylylenediamine, m-Xylene alpha,alpha'-diamine, 1,3Xylylenediamine, 1,3benzenedimethanamine, 1,3Bisaminomethylbenzen, RefChem:413720, alpha,alpha'Diaminomxylene, Methylamine, mphenylenebis, mPhenylenebis(methylamine), mXylenealpha,alpha'diamine, 1,3-bis-aminomethylbenzene, 1,3bis(aminomethyl)benzene, mXylene alpha,alpha'diamine, alpha,alpha'-m-Xylenediamine, ALPHA-ALPHA'-DIAMINO-3-XYLENE, m-Xylene-alpha,alpha'-diamine (8CI), M-(ALPHA,ALPHA'-DIAMINO)XYLENE, m-Xylene alpha,alpha'-diamine (ACGIH), M-(.ALPHA.,.ALPHA.'-DIAMINO)XYLENE, 216-032-5, 1,3-phenylenedimethanamine, [3-(aminomethyl)phenyl]methanamine, MXDA, m-Xylene Diamine, MFCD00008119, 1,3-Xylenediamine, [3-(aminomethyl)phenyl]methylamine, CAS-1477-55-0, UNII-1E84B9YLJD, m-Diaminoxylene, m-Xylylene amine, meta-xylenediamine, metaxylylenediamine, m-xylylene diamine, metaxylylene diamine, m-Xylylenediamine, 99%, m-(aminomethyl)benzylamine, m-Xylylenediamine (MXDA), SCHEMBL36008, (1,3-Phenylene)dimethanamine, 3-(Aminomethyl)benzylamine #, aminomethyl-3-aminomethylbenzene, CHEMBL384146, SCHEMBL2096248, SCHEMBL4987538, SCHEMBL27718091, SCHEMBL27972897, SCHEMBL28087459, FDLQZKYLHJJBHD-UHFFFAOYSA-, NSC61568, Tox21_200766, Tox21_303362, SBB056801, AKOS000119451, MSK001219-1000A, NCGC00248826-01, NCGC00257445-01, NCGC00258320-01, AC-11133, LS-13448, NS00001643, ST50981605, EN300-20441, F71376, F228080, doi:10.14272/FDLQZKYLHJJBHD-UHFFFAOYSA-N.1, m-Xylylenediamine Solution in Acetonitrile, 1000ug/mL, Q15726051, 1,3-Benzenebis(methylamine) 100 microg/mL in Acetonitrile, InChI=1/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
Theoretical properties:
molecular_formula: C8H12N2
molecular_weight: 136.19 g/mol
exact_mass: 136.100048391 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 10
topological_polar_surface_area: 52 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: COLORLESS LIQ
color: COLORLESS LIQ
boiling_point: 477 °F at 760 mmHg (NIOSH, 2024)
melting_point: 58 °F (NIOSH, 2024)
density: 1.032 (NIOSH, 2024) - Denser than water; will sink
solubility: Miscible (NIOSH, 2024)
flash_point: 243 °F (NIOSH, 2024)
vapor_pressure: 0.03 mmHg at 77 °F (NIOSH, 2024)
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: m-Xylylenediamine is an organic compound with the formula C6H4(CH2NH2)2. A colorless oily liquid, it is produced by hydrogenation of isophthalonitrile.