-
Name
3-Pyridazinamine, 6-[(3-methoxyphenyl)methyl]-
- EINECS
- CAS No. 874338-91-7
- Article Data3
- CAS DataBase
- Density 1.186 g/cm3
- Solubility
- Melting Point
- Formula C12H13N3O
- Boiling Point 442.906 °C at 760 mmHg
- Molecular Weight 215.255
- Flash Point 221.662 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms QC-5794
- PSA 61.03000
- LogP 2.23940
6-[(3-Methoxyphenyl)methyl]-3-pyridazinamine Specification
This chemical is called 6-[(3-Methoxyphenyl)methyl]-3-pyridazinamine, and it can also be named as 3-Pyridazinamine, 6-[(3-methoxyphenyl)methyl]-. With the molecular formula of C12H13N3O, its molecular weight is 215.25. The CAS registry number of this chemical is 874338-91-7.
Other characteristics of the 6-[(3-Methoxyphenyl)methyl]-3-pyridazinamine can be summarised as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 53; (8)ACD/KOC (pH 7.4): 151; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.03 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 62.664 cm3; (15)Molar Volume: 181.565 cm3; (16)Polarizability: 24.842×10-24cm3; (17)Surface Tension: 52.667 dyne/cm; (18)Density: 1.186 g/cm3; (19)Flash Point: 221.662 °C; (20)Enthalpy of Vaporization: 70.046 kJ/mol; (21)Boiling Point: 442.906 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1nc(ccc1Cc2cc(OC)ccc2)N
2.InChI: InChI=1/C12H13N3O/c1-16-11-4-2-3-9(8-11)7-10-5-6-12(13)15-14-10/h2-6,8H,7H2,1H3,(H2,13,15)
3.InChIKey: IFLQAQFBHXXGTG-UHFFFAOYAL
4.Std. InChI: InChI=1S/C12H13N3O/c1-16-11-4-2-3-9(8-11)7-10-5-6-12(13)15-14-10/h2-6,8H,7H2,1H3,(H2,13,15)
5.Std. InChIKey: IFLQAQFBHXXGTG-UHFFFAOYSA-N
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