2-Amino-5-(diethylamino)toluene

HCID 67364

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Basic information

CAS: 148-71-0
Standard SMILES: CCN(CC)c1ccc(N)c(C)c1
InChIKey: XBTWVJKPQPQTDW-UHFFFAOYSA-N
Molecular formula: C11H18N2
Average molar mass: 178.27 g/mol
Monoisotopic mass: 178.14699858

Overview

RN given refers to parent cpd; structure

Names & identifiers

Preferred name: 2-Amino-5-(diethylamino)toluene
IUPAC: 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine
English name: 4-diethylamino-o-toluidine
Molecular formula: C11H18N2
Molecular weight: 178.27

Names & synonyms

148-71-0A640ZQ81DV3-Methyl-N,N-diethyl-p-phenylenediamine2-AMINO-5-(DIETHYLAMINO)TOLUENECD-2 color developerRefChem:515781N(4),N(4)-diethyl-2-methyl-1,4-benzenediamine1,4-Benzenediamine, N4,N4-diethyl-2-methyl-N1,N1-Diethyl-3-methylbenzene-1,4-diamine4-Diethylamino-o-toluidine4-(Diethylamino)-2-methylanilineN-4,N-4-Diethyl-2-methyl-1,4-benzenediamine

Show more names

4-(Diethylamino)-2-methyl-1-benzenamineN',N'-Diethyl-2-methyl-1,4-benzenediamine4-Amino-N,N-diethyl-m-toluidine hydrochloride,98%

N4,N4-diethyl-2-methyl-1,4-Benzenediamine4-N,4-N-diethyl-2-methylbenzene-1,4-diamineCHEMBL20943073-methyl-4-amino-n,n-diethylanilineMFCD001375764-Amino-3-methyl-N,N-diethylanilineToluene-2,5-diamine, N5,N5-diethyl-N4,N4-Diethyl-2-methyl-p-phenylenediamine

Database identifiers

CAS: 148-71-0
PubChem CID: 67364
DTXSID: DTXSID7043879
ChEMBL: CHEMBL2094307
UNII: A640ZQ81DV
EC Number: 205-722-1
Nikkaji: J37.717A

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 143

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

Physical DescriptionWhite odorless crystalline solid; [Kodak MSDS]

Physicochemical properties

Boiling point: 300.3 · 300.3±22.0 °C(Predicted)
Density: 0.995 · 0.995±0.06 g/cm3(Predicted)
pka: 8.36 · 8.36±0.42(Predicted)
FDA UNII: 640 ZQ81DV · A640ZQ81DV
EPA Substance Registry System: 1 · 1,4-Benzenediamine, N4,N4-diethyl-2-methyl- (148-71-0)
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Danger
Hazard statements: 413 · H413-H317-H301+H311+H331
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
TSCA: TSCA listed
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P333+P317, P361+P364, P362+P364, 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

Hazards Summary · 1 item

Can cause skin sensitization; [Marks] May form explosive dust-air mixtures; An eye irritant; Prolonged or repeated skin exposure may cause drying, cracking, or irritation; May cause skin sensitization (positive results in human test); May cause liver injury, based on animal studies (targets liver in repeated-dose oral studies of rats); Harmful by ingestion and inhalation; [Kodak MSDS]

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Toxicology

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.