CAS No.2243-61-0,1,4-DIAMINONAPHTHALENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2243-61-0
Name:	1,4-DIAMINONAPHTHALENE
Article Data:	46

Formula:	C₁₀H₁₀N₂
Molecular Weight:	158.203
Synonyms:	1,4-Diaminonaphthalene;Naphthalene-1,4-diamine;(4-amino-1-naphthyl)amine;1,4-Naphthylenediamine;1,4-Naphthalene diamine;
EINECS:	218-816-2
Density:	1.234 g/cm³
Melting Point:	114-116 °C
Boiling Point:	369.6 °C at 760 mmHg
Flash Point:	211.5 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	52.04000
LogP:	3.16660

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Specification

This chemical is called 1,4-Naphthalenediamine, and it can also be named as 1,4-Diaminonaphthalene. With the molecular formula of C₁₀H₁₀N₂, its molecular weight is 158.2. The CAS registry number of this chemical is 2243-61-0, and its EINECS number is 218-816-2.

Other characteristics of the 1,4-Naphthalenediamine can be summarised as follows: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 1.36; (6)ACD/BCF (pH 7.4): 1.53; (7)ACD/KOC (pH 5.5): 41.8; (8)ACD/KOC (pH 7.4): 47.19; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.757; (14)Molar Refractivity: 52.56 cm³; (15)Molar Volume: 128.1 cm³; (16)Polarizability: 20.83×10^-24 cm³; (17)Surface Tension: 64.3 dyne/cm; (18)Density: 1.234 g/cm³; (19)Flash Point: 211.5 °C; (20)Enthalpy of Vaporization: 61.64 kJ/mol; (21)Boiling Point: 369.6 °C at 760 mmHg; (22)Vapour Pressure: 1.17E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1cccc2c(ccc(N)c12)N
2.InChI: InChI=1/C10H10N2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,11-12H2
3.InChIKey: OKBVMLGZPNDWJK-UHFFFAOYAN