Benzathine

C₁₆H₂₀N₂CAS 140-28-3240.35 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₆H₂₀N₂
Molar mass: 240.35 g/mol
Exact mass: 240.1626 Da
Density: 1.024 g/mL (at 20 °C)
Melting point: 26 °C
Boiling point: 212–213 °C
logP: 2.57Crippen estimate
Polar surface area: 24.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 7

Hazards

Danger

H301 Toxic if swallowed68.9% of notifiers
H302 Harmful if swallowed31.1% of notifiers
H314 Causes severe skin burns and eye damage72.8% of notifiers
H315 Causes skin irritation27.2% of notifiers
H318 Causes serious eye damage69.5% of notifiers
H319 Causes serious eye irritation27.2% of notifiers
H335 May cause respiratory irritation27.2% of notifiers
H411 Toxic to aquatic life with long lasting effects68.9% of notifiers

Aggregated from 151 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

140-28-3

SMILES

c1ccc(CNCCNCc2ccccc2)cc1

InChIKey

JUHORIMYRDESRB-UHFFFAOYSA-N

InChI

InChI=1S/C16H20N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2

Weigh it out

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

Names and synonyms

15 names · show all

1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-
Ethylenediamine, N,N′-dibenzyl-
1,2-Ethanediamine, N,N′-bis(phenylmethyl)-
N1,N2-Bis(phenylmethyl)-1,2-ethanediamine
Benzatin
1,2-Bis(benzylamino)ethane
DBED
N,N′-Dibenzylethylenediamine
N,N′-Dibenzyl-1,2-ethanediamine
N,N′-Dibenzyl-1,2-ethylenediamine
N,N′-Dibenzyl-1,2-diaminoethane
N,N′-Bis(phenylmethyl)-1,2-ethanediamine
NSC 5632
NSC 62936
Benzyl (2-(benzylamino)ethyl)amine

Work with Benzathine

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.

Benzathine penicillin1538-09-6Salt Cloxacillin benzathine23736-58-5Salt N,N′-Dibenzylethylenediamine diacetate122-75-8Salt Cephapirin benzathine97468-37-6Salt

Similar compounds

Benzylphenethylamine3647-71-080 % similar Dibenzylamine103-49-178 % similar Benzylethanolamine104-63-273 % similar N-Benzylethylenediamine4152-09-470 % similar N-Benzyl-1,3-propanediamine13910-48-064 % similar N-Butylbenzylamine2403-22-764 % similar 3-(Benzylamino)propanol4720-29-064 % similar N1,N1-Dimethyl-N2-(phenylmethyl)-1,2-ethanediamine103-55-962 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N,N,N',N'-Tetramethylbenzidine366-29-0 3,3′,5,5′-Tetramethylbenzidine54827-17-7 (±)-Pheniramine86-21-5

Elsewhere

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