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| CAS No.: | 147249-42-1 |
|---|---|
| Name: | 2-Aminomethyl-3,4-Dichloro-Phenylamine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C7H8Cl2N2 |
| Molecular Weight: | 191.06 |
| Synonyms: | 2-Amino-5,6-dichlorobenzylamine;2-Aminomethyl-3,4-dichlorophenylamine;6-Amino-2,3-dichlorobenzylamine; |
| Density: | 1.408 g/cm3 |
| Boiling Point: | 337.6 °C at 760 mmHg |
| Flash Point: | 158 °C |
| PSA: | 52.04000 |
| LogP: | 3.31580 |
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- Total:15 Page 1 of 1 1
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Specification
The 2-Aminomethyl-3,4-dichlorophenylamine with the CAS number 147249-42-1 is also called Benzenemethanamine,6-amino-2,3-dichloro-. Its molecular formula is C7H8Cl2N2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 2-Aminomethyl-3,4-dichlorophenylamine are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.58; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.36; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 48.73 cm3; (15)Molar Volume: 135.6 cm3; (16)Polarizability: 19.31×10-24cm3; (17)Surface Tension: 55.8 dyne/cm; (18)Enthalpy of Vaporization: 58.08 kJ/mol; (19)Vapour Pressure: 0.000104 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(ccc1Cl)N)CN
(2)InChI: InChI=1/C7H8Cl2N2/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2H,3,10-11H2
(3)InChIKey: AUPHGODJXYLKQK-UHFFFAOYAP