CAS No.127356-26-7,6-METHOXY-3,4-PYRIDINEDIAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	127356-26-7
Name:	6-METHOXY-3,4-PYRIDINEDIAMINE
Article Data:	7

Formula:	C₆H₉N₃O
Molecular Weight:	139.157
Synonyms:	3,4-Diamino-6-methoxypyridine;3,4-Pyridinediamine,6-methoxy-(9CI);
Density:	1.251 g/cm³
Boiling Point:	368.23 °C at 760 mmHg
Flash Point:	176.5 °C
PSA:	74.16000
LogP:	1.41700

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Specification

The IUPAC name of 3,4-Pyridinediamine,6-methoxy- is 6-methoxypyridine-3,4-diamine. With the CAS registry number 127356-26-7, it is also named as 3,4-Diamino-6-methoxypyridine. The product's category is Pyridine. In addition, its molecular formula is C₆H₉N₃O and its molecular weight is 139.15.

The other characteristics of 3,4-Pyridinediamine,6-methoxy- can be summarized as: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9; (8)ACD/KOC (pH 7.4): 37; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 74.16 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 39.495 cm³; (15)Molar Volume: 111.22 cm³; (16)Polarizability: 15.657×10^-24cm³; (17)Surface Tension: 60.168 dyne/cm; (18)Density: 1.251 g/cm³; (19)Flash Point: 176.5 °C; (20)Enthalpy of Vaporization: 61.486 kJ/mol; (21)Boiling Point: 368.23 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O(c1ncc(c(N)c1)N)C
(2)InChI: InChI=1/C6H9N3O/c1-10-6-2-4(7)5(8)3-9-6/h2-3H,8H2,1H3,(H2,7,9)
(3)InChIKey: JQDQHTDJIYOWQQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H9N3O/c1-10-6-2-4(7)5(8)3-9-6/h2-3H,8H2,1H3,(H2,7,9)
(5)Std. InChIKey: JQDQHTDJIYOWQQ-UHFFFAOYSA-N