4,4'-Bis(dimethylamino)diphenylamine

HCID 69473

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Basic information

CAS: 637-31-0
Standard SMILES: CN(C)c1ccc(Nc2ccc(N(C)C)cc2)cc1
InChIKey: ZPGZNKGKCSYBGK-UHFFFAOYSA-N
Molecular formula: C16H21N3
Average molar mass: 255.36 g/mol
Monoisotopic mass: 255.17354767

Overview

used in a BG reduction cytotoxicity assay

Names & identifiers

Preferred name: 4,4'-Bis(dimethylamino)diphenylamine
IUPAC: 1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine
English name: BINDSCHEDLER'S GREEN
Molecular formula: C16H21N3
Molecular weight: 255.36

Names & synonyms

637-31-04,4'-Bis(dimethylamino)diphenylamine4,4-Bis(dimethylamino)diphenylamineRefChem:96330Bindschedler's green leuco baseBis(4-dimethylaminophenyl)amineN1-(4-(Dimethylamino)phenyl)-N4,N4-dimethylbenzene-1,4-diamineMFCD00059291GZD4PUT25Fp,p'-(Tetramethyldiamino)diphenylamine1,4-Benzenediamine, N'-(4-(dimethylamino)phenyl)-N,N-dimethyl-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine

Show more names

C.I.76125BindschedlerBINDSCHEDLER'S GREENLeuco Bindschedler'sLEUCO BINDSCHEDLER'S GREENBINDSCHEDER'S GREEN LEUCO BASEBis(4-dimethylaminophenyl)amide

C.I. 76125NSC-569211,4-Benzenediamine, N'-[4-(dimethylamino)phenyl]-N,N-dimethyl-N1-[4-(Dimethylamino)phenyl]-N4,N4-dimethylbenzene-1,4-diamineNSC 56921Diphenylamine, 4,4'-bis(dimethylamino)-N4-[4-(dimethylamino)phenyl]-N1,N1-dimethylbenzene-1,4-diamineUNII-GZD4PUT25F

Database identifiers

CAS: 637-31-0
PubChem CID: 69473
DTXSID: DTXSID2073221
ChEMBL: CHEMBL15754
UNII: GZD4PUT25F
EC Number: 805-678-9
Nikkaji: J70.170J

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 223

Physicochemical properties

Melting point: 121 °C · 121°C
Boiling point: 416.7 · 416.7±30.0 °C(Predicted)
Density: 1.103 · 1.103±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 7.45 · 7.45±0.24(Predicted)
Colour Index: 76125 · 76125
color: White to Gray to Red
FDA UNII: 4 PUT25F · GZD4PUT25F
EPA Substance Registry System: 1 · 1,4-Benzenediamine, N'-(4-(dimethylamino)phenyl)-N,N-dimethyl- (637-31-0)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 315 · H315-H411-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2921.59 · 2921.59.8090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2921.59.8090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS09
safety_code: 26-36/37/39
Hazard statements: H315-H411-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P