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1H-Indole-3-methanamine,N,N-dimethyl-5-(phenylmethoxy)-

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Name

1H-Indole-3-methanamine,N,N-dimethyl-5-(phenylmethoxy)-

EINECS 215-927-8
CAS No. 1453-97-0 Density 1.153g/cm3
PSA 28.26000 LogP 3.80850
Solubility N/A Melting Point 137-139 °C(lit.)
Formula C18H20N2O Boiling Point 442.3 °C at 760 mmHg
Molecular Weight 280.37 Flash Point 221.3 °C
Transport Information N/A Appearance white to off-white fine crystalline powder
Safety 45-36/37/39-26 Risk Codes 34
Molecular Structure Molecular Structure of 1453-97-0 (5-BENZYLOXYGRAMINE) Hazard Symbols CorrosiveC,IrritantXi
Synonyms

Indole,5-(benzyloxy)-3-[(dimethylamino)methyl]- (6CI,7CI,8CI);5-Benzyloxygramine;NSC17819;N,N-Dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine;N-{[5-(Benzyloxy)-1H-indol-3-yl]methyl}-N,N-dimethylamine;1-[5-(Benzyloxy)-1H-indol-3-yl]-N,N-dimethylmethanamine;

Article Data 12

1H-Indole-3-methanamine,N,N-dimethyl-5-(phenylmethoxy)- Specification

The 1H-Indole-3-methanamine,N,N-dimethyl-5-(phenylmethoxy)-, with the CAS registry number 1453-97-0, is also known as N-{[5-(Benzyloxy)-1H-indol-3-yl]methyl}-N,N-dimethylamine. It belongs to the product category of Indoles and derivatives. Its EINECS number is 215-927-8. This chemical's molecular formula is C18H20N2O and molecular weight is 280.36. What's more, its IUPAC name is N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of 1H-Indole-3-methanamine,N,N-dimethyl-5-(phenylmethoxy)- are: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.56; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 8.82; (7)ACD/KOC (pH 5.5): 2.28; (8)ACD/KOC (pH 7.4): 63.43; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 17.4 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 87.59 cm3; (15)Molar Volume: 243.1 cm3; (16)Polarizability: 34.72×10-24cm3; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.153 g/cm3; (19)Flash Point: 221.3 °C; (20)Enthalpy of Vaporization: 69.98 kJ/mol; (21)Boiling Point: 442.3 °C at 760 mmHg; (22)Vapour Pressure: 5.06E-08 mmHg at 25°C.

Uses of 1H-Indole-3-methanamine,N,N-dimethyl-5-(phenylmethoxy)-: it can be used to produce 2-Nitro-3-(5-benzyloxy-indolyl-(3))-propionsaeure-ethylester by heating. It will need solvent xylene with the reaction time of 18 hours. The yield is about 94%.

1H-Indole-3-methanamine,N,N-dimethyl-5-(phenylmethoxy)- can be used to produce 2-Nitro-3-(5-benzyloxy-indolyl-(3))-propionsaeure-ethylester by heating

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3
(2)InChI: InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
(3)InChIKey: POTVAILTNPOQJH-UHFFFAOYSA-N

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