4-Methylbenzamidine hydrochloride

C₈H₁₁ClN₂CAS 6326-27-8170.64 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₁ClN₂
Molar mass: 170.64 g/mol
Exact mass: 170.0611 Da
Melting point: 210–213 °C
logP: 1.70Crippen estimate
Polar surface area: 49.9 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6326-27-8

SMILES

Cc1ccc(C(=N)N)cc1.Cl

InChIKey

MTDUPZAXNYELOU-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2.ClH/c1-6-2-4-7(5-3-6)8(9)10;/h2-5H,1H3,(H3,9,10);1H

Weigh it out

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

Names and synonyms

6 names

Benzenecarboximidamide, 4-methyl-, hydrochloride (1:1)
p-Toluamidine, monohydrochloride
Benzenecarboximidamide, 4-methyl-, monohydrochloride
4-Toluamidine hydrochloride
p-Methylbenzamidine hydrochloride
4-Methylbenzene-1-carboximidamide hydrochloride

Work with 4-Methylbenzamidine hydrochloride

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

p-Aminobenzamidine dihydrochloride2498-50-262 % similar Benzamidine hydrochloride1670-14-061 % similar 4-Chlorobenzamidine hydrochloride14401-51-560 % similar p-Hydroxybenzamidine monohydrochloride38148-63-960 % similar 4-Fluorobenzamidine hydrochloride456-14-460 % similar 4-Bromobenzene-1-carboximidamide hydrochloride55368-42-860 % similar Biphenyl-4-carboxamidine hydrochloride111082-23-658 % similar 4-(Trifluoromethyl)benzamidine Hydrochloride38980-96-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5,6,7,8-Tetrahydro-1,7-naphthyridine hydrochloride1338707-67-7 3-Methylbenzene-1-carboximidamide hydrochloride20680-59-5 4-Chloro-N1-ethyl-1,2-benzenediamine62476-15-7 5-Butyl-2-chloropyrimidine847227-37-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook