1,3-Benzenediamine, N1,N1,N3,N3-tetramethyl-

HCID 89715

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 22440-93-3
Standard SMILES: CN(C)c1cccc(N(C)C)c1
InChIKey: LFZLVJBOEONQHV-UHFFFAOYSA-N
Molecular formula: C10H16N2
Average molar mass: 164.25 g/mol
Monoisotopic mass: 164.13134851

Names & identifiers

Preferred name: 1,3-Benzenediamine, N1,N1,N3,N3-tetramethyl-
IUPAC: 1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
English name: N,N,N',N'-tetramethylbenzene-1,3-diamine
Molecular formula: C10H16N2
Molecular weight: 164.25

Names & synonyms

N,N,N',N'-Tetramethylbenzene-1,3-diamineN,N,N',N'-Tetramethyl-m-phenylenediamineEINECS 244-998-81,3-Benzenediamine, N1,N1,N3,N3-tetramethyl-RefChem:412872244-998-822440-93-31,3-Bis(dimethylamino)benzene1,3-Benzenediamine, N,N,N',N'-tetramethyl-N1,N1,N3,N3-tetramethylbenzene-1,3-diamineMFCD237044021-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine

Show more names

1,3-Bis(dimethyL1,3-Di(dimethylamino)benzene(1,3-Phenylene)bis(dimethylamine)1,3-BIS(DIMETHYLAMINO)BENZENE,98%N,N,N'N'-tetraMethyl-1,3-benzenediaMMine

N1,N1,N3,N3-Tetramethyl-1,3-benzenediamine1,3-bis[dimethylamino]benzolSCHEMBL297356SCHEMBL2242134SCHEMBL2777570SCHEMBL4391221CHEMBL3822693DTXSID0066799

Database identifiers

CAS: 22440-93-3
PubChem CID: 89715
DTXSID: DTXSID0066799
ChEMBL: CHEMBL3822693
EC Number: 244-998-8
Nikkaji: J253.678A

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 6.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 118

Physicochemical properties

Boiling point: 140 °C · 140 °C(Press: 15 Torr)
Density: 0.976 g/mLat · 0.976g/mLat 25℃
refractive index: 20 · n20/D 1.580
Flash point: 110 °C · >110°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 5.15 · 5.15±0.10(Predicted)
form: liquid
color: colorless
Sensitive: air sensitive, light sensitive, store cold
InChI: 1S/C10H16N2/c1-11(2)9-6-5-7-10(8-9)12(3)4/h5-8H,1-4H3
InChIKey: LFZLVJBOEONQHV-UHFFFAOYSA-N
SMILES: CN(C)c1cccc(c1)N(C)C
EPA Substance Registry System: 1 · 1,3-Benzenediamine, N,N,N',N'-tetramethyl- (22440-93-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H317-H319-H335
Precautionary statements: 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: T
Risk Statements: 25 · 25-36/37/38-43-52
Safety Statements: 26 · 26-36/37-45
RIDADR: 2811 · UN 2811 6.1 / PGIII
WGK Germany: 3 · 3
TSCA: TSCA listed
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1 / PGIII
risk_code: 25-36/37/38-43-52
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 26-36/37-45
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
target organs: Respiratory system
Hazard statements: H301-H315-H317-H319-H335
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P280-P301+P310+P330-P302+P352-P305+P351+P338