CAS No.675126-27-9,2-Amino-4-Methoxy-5-(3-Morpholinopropoxy)benzonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	675126-27-9
Name:	2-Amino-4-Methoxy-5-(3-Morpholinopropoxy)benzonitrile
Article Data:	10

Formula:	C₁₅H₂₁N₃O₃
Molecular Weight:	291.35
Synonyms:	2-Amino-4-methoxy-5-(3-morpholinopropoxy)benzonitrile;
EINECS:	1806241-263-5
Density:	1.214 g/cm³
Melting Point:	88℃
Boiling Point:	497.986 °C at 760 mmHg
Flash Point:	254.973 °C
PSA:	80.74000
LogP:	1.76928

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Specification

The Benzonitrile, 2-amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]-, with the CAS registry number 675126-27-9, is also known as 2-Amino-4-methoxy-5-(3-morpholinopropoxy)benzonitrile. This chemical's molecular formula is C₁₅H₂₁N₃O₃ and molecular weight is 291.3455. What's more, its systematic name is 2-Amino-4-methoxy-5-[3-(morpholin-4-yl)propoxy]benzonitrile.

Physical properties about Benzonitrile, 2-amino-4-methoxy-5-[3-(4-morpholinyl)propoxy]- are: (1)ACD/LogP: 0.41; (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): 1; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 40; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7 ; (12)Polar Surface Area: 80.74 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 79.038 cm³; (15)Molar Volume: 240.084 cm³; (16)Polarizability: 31.333×10^-24 cm³; (17)Surface Tension: 55.687 dyne/cm; (18)Density: 1.214 g/cm³; (19)Flash Point: 254.973 °C; (20)Enthalpy of Vaporization: 76.607 kJ/mol; (21)Boiling Point: 497.986 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2cc(OCCCN1CCOCC1)c(OC)cc2N
(2) InChI: InChI=1/C15H21N3O3/c1-19-14-10-13(17)12(11-16)9-15(14)21-6-2-3-18-4-7-20-8-5-18/h9-10H,2-8,17H2,1H3
(3) InChIKey: DSPAUOALMSIBJA-UHFFFAOYAK