541-69-5
C₆H₁₀Cl₂N₂·181.060 g/mol·CID 10941
IUPAC: benzene-1,3-diamine;dihydrochloride
Also known as: M-phenylenediamine dihydrochloride, benzene-1,3-diamine dihydrochloride, 1,3-Phenylenediamine dihydrochloride, 1,3-BENZENEDIAMINE DIHYDROCHLORIDE, 1,3-Benzenediamine, dihydrochloride (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
181.060g/mol
Exact Mass
180.022104Da
Monoisotopic Mass
180.022104Da
XLogP
—
Polar Surface Area
52.0Ų
Complexity
64
Formal Charge
0
H-Bond Donors
4
H-Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
10
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 181.1 g/mol
MW ≤ 500
? —
LogP ≤ 5
✓ 4
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H301Toxic if swallowedH311Toxic in contact with skinH317May cause an allergic skin reactionH319Causes serious eye irritationH331Toxic if inhaledH341Suspected of causing genetic defectsH400Very toxic to aquatic lifeH410Very toxic to aquatic life with long lasting effectsH320Causes eye irritationH370Causes damage to organs
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₆H₁₀Cl₂N₂
benzene-1,4-diamine;dihydrochloride
CID 12205 · 181.1 g/mol
benzene-1,2-diamine;dihydrochloride
CID 11990 · 181.1 g/mol
pyridin-4-ylmethanamine;dihydrochloride
CID 12238841 · 181.1 g/mol
1-(2-chloroethyl)-2-methylimidazole;hydrochloride
CID 117084 · 181.1 g/mol
pyridin-3-ylmethanamine;dihydrochloride
CID 31017 · 181.1 g/mol
4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride
CID 12647304 · 181.1 g/mol
5-(chloromethyl)-1-ethylimidazole;hydrochloride
CID 22938740 · 181.1 g/mol
2-(chloromethyl)-1-ethylimidazole;hydrochloride
CID 47003216 · 181.1 g/mol