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357426-12-1

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Basic Information
CAS No.: 357426-12-1
Name: methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-1-carboxylate
Article Data: 4
Molecular Structure:
Molecular Structure of 357426-12-1 (methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-1-carboxylate)
Formula: C12H15NO2
Molecular Weight: 205.257
Synonyms: Methyl 3-(aminomethyl)indane-1-carboxylate;
Density: 1.134 g/cm3
Boiling Point: 316.8 °C at 760 mmHg
Flash Point: 169.1 °C
PSA: 52.32000
LogP: 2.08950
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Specification

The CAS registry number of 1H-Indene-1-carboxylicacid, 3-(aminomethyl)-2,3-dihydro-, methyl ester is 357426-12-1. The systematic name is methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-1-carboxylate. In addition, the molecular formula is C12H15NO2 and the molecular weight is 205.25. It should be stored in a cool and dry place.

Physical properties about 1H-Indene-1-carboxylicacid, 3-(aminomethyl)-2,3-dihydro-, methyl ester are: (1)ACD/LogP: 1.14; (2)ACD/LogD (pH 5.5): -1.94; (3)ACD/LogD (pH 7.4): -1.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 57.6 cm3; (14)Molar Volume: 180.8 cm3; (15)Polarizability: 22.83 ×10-24cm3; (16)Surface Tension: 43.2 dyne/cm; (17)Density: 1.134 g/cm3; (18)Flash Point: 169.1 °C; (19)Enthalpy of Vaporization: 55.82 kJ/mol; (20)Boiling Point: 316.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C2c1ccccc1C(C2)CN
(2)InChI: InChI=1/C12H15NO2/c1-15-12(14)11-6-8(7-13)9-4-2-3-5-10(9)11/h2-5,8,11H,6-7,13H2,1H3
(3)InChIKey: VLYNBHYMQUZEDV-UHFFFAOYAD