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| CAS No.: | 37466-89-0 |
|---|---|
| Name: | 3-METHOXY-BENZENE-1,2-DIAMINE |
| Article Data: | 33 |
| Molecular Structure: | |
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| Formula: | C7H10N2O |
| Molecular Weight: | 138.169 |
| Synonyms: | o-Phenylenediamine,3-methoxy- (6CI);1,2-Diamino-3-methoxybenzene;2,3-Diaminoanisole;2-Amino-3-methoxyaniline;3-Methoxy-1,2-diaminobenzene;3-Methoxy-1,2-phenylenediamine;3-Methoxybenzene-1,2-diamine;NSC 521887; |
| Density: | 1.17 g/cm3 |
| Melting Point: | 77-78℃ |
| Boiling Point: | 286.3 °C at 760 mmHg |
| Flash Point: | 148.5 °C |
| Solubility: | Slightly soluble in water. |
| PSA: | 61.27000 |
| LogP: | 2.02200 |
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- Total:32 Page 1 of 1 1
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Specification
This chemical is called 1,2-Benzenediamine,3-methoxy-, and its systematic name is 3-methoxybenzene-1,2-diamine. With the molecular formula of C7H10N2O, its molecular weight is 138.17. The CAS registry number of this chemical is 37466-89-0.
Other characteristics of 1,2-Benzenediamine,3-methoxy- can be summarised as followings: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.64; (8)ACD/KOC (pH 7.4): 30.26; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 41.4 cm3; (15)Molar Volume: 117.9 cm3; (16)Polarizability: 16.41×10-24cm3; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 148.5 °C; (20)Enthalpy of Vaporization: 52.54 kJ/mol; (21)Boiling Point: 286.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00266 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O(c1cccc(c1N)N)C
2.InChI: InChI=1/C7H10N2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,8-9H2,1H3
3.InChIKey: BFLWXPJTAKXXKT-UHFFFAOYAH
4.Std. InChI: InChI=1S/C7H10N2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,8-9H2,1H3
5.Std. InChIKey: BFLWXPJTAKXXKT-UHFFFAOYSA-N