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-
Name
AM-1220
- EINECS
- CAS No. 137642-54-7
- Article Data2
- CAS DataBase
- Density 1.17
- Solubility
- Melting Point
- Formula C26H26N2O
- Boiling Point 575.6±20.0 °C(Predicted)
- Molecular Weight 382.50
- Flash Point 301.892oC
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone;
- PSA 25.24000
- LogP 5.44770
AM-1220 Specification
The Methanone,[1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]-1-naphthalenyl-, with the CAS registry number 137642-54-7, is also known as [1-(1-Methyl-piperidin-2-ylmethyl)-1H-indol-3-yl]-naphthalen-1-yl-methanone. This chemical's molecular formula is C26H26N2O and molecular weight is 382.50. What's more, its systematic name is {1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(naphthalen-1-yl)methanone.
Physical properties of Methanone,[1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]-1-naphthalenyl- are: (1)ACD/LogP: 6.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 99; (7)ACD/KOC (pH 5.5): 25; (8)ACD/KOC (pH 7.4): 240; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 25.24 Å2; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 118.207 cm3; (15)Molar Volume: 326.325 cm3; (16)Polarizability: 46.861×10-24cm3; (17)Surface Tension: 46.17 dyne/cm; (18)Density: 1.172 g/cm3; (19)Flash Point: 301.892 °C; (20)Enthalpy of Vaporization: 86.206 kJ/mol; (21)Boiling Point: 575.567 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2c1ccccc1ccc2)c3c5ccccc5n(c3)CC4N(C)CCCC4
(2)InChI: InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3
(3)InChIKey: URKVBEKZCMUTQC-UHFFFAOYSA-N
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