Benzenamine hydrochloride (1:1)
Properties
- Molecular formula
- C6H8ClN
- Molar mass
- 129.59 g/mol
- Exact mass
- 129.0345 Da
- Density
- 1.22 g/mL
- Melting point
- 196 °C
- Boiling point
- 245 °C
- Flash point
- 193 °C (open cup)
- Water solubility
- 1,070 g/L (20 °C)
- logP
- 1.69Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed98.1% of notifiers
- H311 Toxic in contact with skin98.1% of notifiers
- H317 May cause an allergic skin reaction100% of notifiers
- H318 Causes serious eye damage98.1% of notifiers
- H331 Toxic if inhaled98.1% of notifiers
- H341 Suspected of causing genetic defects98.1% of notifiers
- H351 Suspected of causing cancer100% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure100% of notifiers
- H400 Very toxic to aquatic life98.1% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
142-04-1SMILES
Cl.Nc1ccccc1InChIKey
MMCPOSDMTGQNKG-UHFFFAOYSA-NInChI
InChI=1S/C6H7N.ClH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzenamine, hydrochloride (1:1)
- Aniline, hydrochloride
- Benzenamine, hydrochloride
- C.I. 76001
- Phenylamine hydrochloride
- Phenylammonium chloride
- Anilinium chloride
- Aniline hydrochloride
- Benzenamine hydrochloride
Work with Benzenamine hydrochloride (1:1)
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1,4-Diaminobenzene dihydrochloride624-18-069 % similar
m-Phenylenediamine hydrochloride541-69-563 % similar
4-Phenylazobenzamine monohydrochloride3457-98-561 % similar
Benzenamine, 4-(phenylmethyl)-, hydrochloride (1:1)6317-57-361 % similar
[1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-158 % similar
4-Amino-P-terphenyl7293-45-055 % similar
4-Aminobiphenyl92-67-155 % similar
4-(Phenylmethoxy)aniline hydrochloride51388-20-652 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds