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1,3-Benzodioxole-5-methanamine,N-[(2-methoxyphenyl)methyl]-

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Name

1,3-Benzodioxole-5-methanamine,N-[(2-methoxyphenyl)methyl]-

EINECS N/A
CAS No. 418774-45-5 Density N/A
PSA 39.72000 LogP 3.10460
Solubility N/A Melting Point N/A
Formula C16H17NO3 Boiling Point 394 °C at 760 mmHg
Molecular Weight 272.3185 Flash Point 163.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 418774-45-5 (BENZO[1,3]DIOXOL-5-YLMETHYL-(2-METHOXY-BENZYL)-AMINE) Hazard Symbols IrritantXi
Synonyms

ZINC00275544;

 

1,3-Benzodioxole-5-methanamine,N-[(2-methoxyphenyl)methyl]- Specification

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

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