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68049-11-6

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Basic Information
CAS No.: 68049-11-6
Name: 2-chloronaphthalene-1,8-diamine
Molecular Structure:
Molecular Structure of 68049-11-6 (2-chloronaphthalene-1,8-diamine)
Formula: C10H9ClN2
Molecular Weight: 192.6449
Synonyms: 2-chloro-naphthalene-1,8-diyldiamine;S05-0128;2-Chlor-naphthalin-1,8-diyldiamin;2-Chlor-1.8-diamino-naphthalin;2-chloranylnaphthalene-1,8-diamine;
Density: 1.375 g/cm3
Boiling Point: 365.255 °C at 760 mmHg
Flash Point: 174.7 °C
PSA: 52.04000
LogP: 3.82000
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Specification

The 2-Chloronaphthalene-1, 8-diamine has CAS registry number 68049-11-6. This chemical's molecular formula is C10H9ClN2 and molecular weight is 192.6449. What's more, its systematic name is 2-Chloronaphthalene-1, 8-diamine.

Physical properties about 2-Chloronaphthalene-1, 8-diamine are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.152; (4)ACD/LogD (pH 7.4): 2.155; (5)ACD/BCF (pH 5.5): 25.409; (6)ACD/BCF (pH 7.4): 25.574; (7)ACD/KOC (pH 5.5): 351.963; (8)ACD/KOC (pH 7.4): 354.246; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.04 Å2; (13)Index of Refraction: 1.757; (14)Molar Refractivity: 57.463 cm3; (15)Molar Volume: 140.06 cm3; (16)Polarizability: 22.78×10-24 cm3; (17)Surface Tension: 65.626 dyne/cm; (18)Density: 1.375 g/cm3; (19)Flash Point: 174.7 °C; (20)Enthalpy of Vaporization: 61.153 kJ/mol; (21)Boiling Point: 365.255 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2ccc(c(c2c(c1)N)N)Cl
(2) InChI: InChI=1/C10H9ClN2/c11-7-5-4-6-2-1-3-8(12)9(6)10(7)13/h1-5H,12-13H2
(3) InChIKey: YKBRCKZECVNRRY-UHFFFAOYAC