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1,8-Naphthalenediamine,N1,N1,N8,N8-tetramethyl-(CAS No. 20734-58-1)

1,8-Naphthalenediamine,N1,N1,N8,N8-tetramethyl- C14H18N2 (cas 20734-58-1) Molecular Structure

20734-58-1 Structure

Identification and Related Records

【Name】
1,8-Naphthalenediamine,N1,N1,N8,N8-tetramethyl-
【Iupac name】
1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
【CAS Registry number】
20734-58-1
【Synonyms】
1,8-Naphthalenediamine,N,N,N',N'-tetramethyl- (8CI,9CI)
1,8-Bis-(Dimethylamino)naphthaline
N,N,N',N'-Tetramethyl-1,8-diaminonaphthalene
N,N,N',N'-Tetramethyl-1,8-naphthalenediamine
Proton sponge
【EINECS(EC#)】
244-001-6
【Molecular Formula】
C14H18N2 (Products with the same molecular formula)
【Molecular Weight】
214.31
【Inchi】
InChI=1/C14H18N2/c1-15(2)12-9-5-7-11-8-6-10-13(14(11)12)16(3)4/h5-10H,1-4H3
【InChIKey】
GJFNRSDCSTVPCJ-UHFFFAOYSA-N
【Canonical SMILES】
CN(C)C1=CC=CC2=C1C(=CC=C2)N(C)C
【MOL File】
20734-58-1.mol

Chemical and Physical Properties

【Appearance】
pinkish white crystal
【Density】
1.074 g/cm3
【Melting Point】
49-51℃
【Boiling Point】
144-145℃ (3.7505 mmHg)
【Vapour】
0.000879mmHg at 25°C
【Refractive Index】
1.649
【Flash Point】
128.3 °C
【Water】
insoluble
【Solubilities】
insoluble
【Computed Properties】
Molecular Weight:214.30612 [g/mol]
Molecular Formula:C14H18N2
XLogP3-AA:3.4
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:214.146999
MonoIsotopic Mass:214.146999
Topological Polar Surface Area:6.5
Heavy Atom Count:16
Formal Charge:0
Complexity:203
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
C:Corrosive
【Risk Statements】
R22;R34
【Safety Statements 】
S26;S36/37/39;S45
【Safety】

Hazard Codes: HarmfulXn,CorrosiveC
Risk Statements: 22-36/37/38-34
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R34:Causes burns.
Safety Statements: 26-45-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
F: 8-10-23 

【Sensitive】
Light Sensitive
【Specification】

  1,8-Naphthalenediamine,N1,N1,N8,N8-tetramethyl- , its cas register number is 20734-58-1. It also can be called AI3-62472 ; EINECS 244-001-6 ;  N,N,N',N'-Tetramethylnaphthalene-1,8-diamine . 1,8-Naphthalenediamine,N1,N1,N8,N8-tetramethyl- (CAS NO.20734-58-1) is harmful if swallowed. And it's irritating to eyes, respiratory system and skin. 

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