Products Categories
CAS No.: | 418774-45-5 |
---|---|
Name: | BENZO[1,3]DIOXOL-5-YLMETHYL-(2-METHOXY-BENZYL)-AMINE |
Molecular Structure: | |
Formula: | C16H17NO3 |
Molecular Weight: | 272.3185 |
Synonyms: | ZINC00275544; |
Boiling Point: | 394 °C at 760 mmHg |
Flash Point: | 163.1 °C |
Hazard Symbols: | Xi |
PSA: | 39.72000 |
LogP: | 3.10460 |
What can I do for you?
Get Best Price
The 1,3-Benzodioxole-5-methanamine,N-[(2-methoxyphenyl)methyl]-, with the CAS registry number 418774-45-5, is also known as ZINC00275544. This chemical's molecular formula is C16H17NO3 and molecular weight is 271.31. Its IUPAC name is called 1,3-benzodioxol-5-ylmethyl-[(2-methoxyphenyl)methyl]azanium. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 1,3-Benzodioxole-5-methanamine,N-[(2-methoxyphenyl)methyl]-: (1)ACD/LogP: 3.20; (2)ACD/LogD (pH 5.5): 0.45; (3)ACD/LogD (pH 7.4): 2.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 11.58; (6)ACD/KOC (pH 5.5): 2.32; (7)ACD/KOC (pH 7.4): 95.47; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Flash Point: 163.1 °C; (12)Enthalpy of Vaporization: 64.39 kJ/mol; (13)Boiling Point: 394 °C at 760 mmHg; (14)Vapour Pressure: 2.05E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1c2ccc(cc2OC1)C[NH2+]Cc3ccccc3OC
(2)InChI: InChI=1/C16H17NO3/c1-18-14-5-3-2-4-13(14)10-17-9-12-6-7-15-16(8-12)20-11-19-15/h2-8,17H,9-11H2,1H3/p+1
(3)InChIKey: MOXFWQPWQPWGMU-IKLDFBCSAL