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20734-56-9

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Basic Information
CAS No.: 20734-56-9
Name: 1,8-Bis(methylamino)naphthalene
Article Data: 15
Molecular Structure:
Molecular Structure of 20734-56-9 (1,8-Bis(methylamino)naphthalene)
Formula: C12H14N2
Molecular Weight: 186.257
Synonyms: 1,8-Naphthalenediamine,N,N'-dimethyl- (8CI,9CI);1,8-Bis(methylamino)naphthalene;N,N'-Dimethyl-1,8-naphthalenediamine;
Density: 1.146 g/cm3
Melting Point: 102-103 °C
Boiling Point: 359 °C at 760 mmHg
Flash Point: 229.3 °C
PSA: 24.06000
LogP: 3.06920
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Specification

ÅThe 1,8-Naphthalenediamine,N1,N8-dimethyl-, with the CAS registry number 20734-56-9, is also known as 1,8-bis(Methylamino)naphthalene. This chemical's molecular formula is C12H14N2 and molecular weight is 186.253. What's more, its IUPAC name is called 1-N,8-N-Dimethylnaphthalene-1,8-diamine.

Physical properties about 1,8-Naphthalenediamine,N1,N8-dimethyl- are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.707; (8)Molar Refractivity: 63.31 cm3; (9)Molar Volume: 162.4 cm3; (10)Surface Tension: 48.5 dyne/cm; (11)Density: 1.146 g/cm3; (12)Flash Point: 229.3 °C; (13)Enthalpy of Vaporization: 60.45 kJ/mol; (14)Boiling Point: 359 °C at 760 mmHg; (15)Vapour Pressure: 2.45E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1(cccc2cccc(NC)c12)NC
(2) InChI: InChI=1/C12H14N2/c1-13-10-7-3-5-9-6-4-8-11(14-2)12(9)10/h3-8,13-14H,1-2H3
(3) InChIKey: XVOAHPOEMCETJM-UHFFFAOYAZ