Benzathine

HCID 8793
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Basic information

CAS
140-28-3
Standard SMILES
c1ccc(CNCCNCc2ccccc2)cc1
InChIKey
JUHORIMYRDESRB-UHFFFAOYSA-N
Molecular formula
C16H20N2
Average molar mass
240.34 g/mol
Monoisotopic mass
240.16264864

Overview

Benzathine is a diamine. It is a conjugate base of a benzathine(1+).

Names & identifiers

Preferred name
Benzathine
IUPAC
N,N'-dibenzylethane-1,2-diamine
English name
N,N'-Bis(phenylmethyl)-1,2-ethanediamine
Molecular formula
C16H20N2
Molecular weight
240.34

Names & synonyms

N,N'-Dibenzylethylenediamine140-28-3BenzathineDBEDBenzatinN,N'-dibenzylethane-1,2-diamine1,2-Bis(benzylamino)ethaneN,N'-Dibenzyl-1,2-ethylenediamineC659VZ7P7TNSC-5632NSC-62936DTXSID4048359
Show more names
Nsc5632usafdo-53N,N'-DibenzyL
CHEBI:51344RefChem:117182DTXCID9028334205-408-4N1,N2-Dibenzylethane-1,2-diamineN,N'-Dibenzyl-ethane-1,2-diamine1,2-Ethanediamine, N,N'-bis(phenylmethyl)-USAF DO-53

Database identifiers

CAS
140-28-3
PubChem CID
8793
DTXSID
DTXSID4048359
ChEMBL
CHEMBL193646
ChEBI
CHEBI:51344
UNII
C659VZ7P7T
EC Number
205-408-4
Nikkaji
J5.652I

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
24.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
18

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials PropertiesDiamagnetic susceptibility
Physical DescriptionLiquid; mp = 26 deg C; [Merck Index] Colorless liquid; mp = 23-25 deg C; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
23 · 23-25°C
Boiling point
195 °C4 · 195 °C4 mm Hg(lit.)
Density
1.02 g/mL · 1.02 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.565(lit.)
Flash point
230 °F · >230 °F
storage temp.
Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (68.9%): Toxic if swallowed [Danger Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 151 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryCauses convulsions in oral lethal-dose studies of mice; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (68.9%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
KV3325000
ridadr
2927
hs_code
29215990

Chemistry & industry

Uses & manufacturing

UsesUsed to make repository form of penicillins G and V; [Merck Index]
General Manufacturing Information1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-: ACTIVE

Applications

UsesN,N'-Dibenzylethylenediamine is an intermediate of cephalosporin and penicillin.

Upstream & downstream products

Suppliers100 total

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Additional notes

DefinitionChEBI: Benzathine is a diamine. It is a conjugate base of a benzathine(1+).

Related reactions

89 records
New reaction record

Compound notes

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CAS 140-28-3 Benzathine (HCID 8793)｜Huagongshe