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Benzenepropanoic acid,4-(aminomethyl)-, methyl ester (100511-78-2)

Identification
Name:Benzenepropanoic acid,4-(aminomethyl)-, methyl ester
Synonyms:3-[4-(Aminomethyl)phenyl]propionicacid methyl ester;4-(2-Methoxycarbonylethyl)benzylamine;NSC 46327;
CAS:100511-78-2
Molecular Formula: C11H15NO2
Molecular Weight: 193.24
InChI: InChI=1/C11H15NO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-5H,6-8,12H2,1H3
Molecular Structure: (C11H15NO2) 3-[4-(Aminomethyl)phenyl]propionicacid methyl ester;4-(2-Methoxycarbonylethyl)benzylamine;NSC 46327;
Properties
Flash Point: 155°C
Boiling Point: 299.4°Cat760mmHg
Density:1.081g/cm3
Refractive index:1.53
Specification:

The CAS register number of Methyl 3-[4-(aminomethyl)phenyl]propionate is 100511-78-2. It also can be called as 3-(4-Aminomethylphenyl)propionic acid methyl ester and the systematic name about this chemical is methyl 3-[4-(aminomethyl)phenyl]propanoate. It belongs to the following product categories, such as Aminomethyl's, Phenyls & Phenyl-Het and so on.

Physical properties about Methyl 3-[4-(aminomethyl)phenyl]propionate are: (1)ACD/LogP: 1.13; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 29.54Å2; (6)Index of Refraction: 1.53; (7)Molar Refractivity: 55.29 cm3; (8)Molar Volume: 178.7 cm3; (9)Polarizability: 21.92x10-24cm3; (10)Surface Tension: 41.6 dyne/cm; (11)Enthalpy of Vaporization: 53.93 kJ/mol; (12)Boiling Point: 299.4 °C at 760 mmHg; (13)Vapour Pressure: 0.0012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCc1ccc(cc1)CN
(2)InChI: InChI=1/C11H15NO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-5H,6-8,12H2,1H3
(3)InChIKey: OQZWLJLXFNYXKR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H15NO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-5H,6-8,12H2,1H3
(5)Std. InChIKey: OQZWLJLXFNYXKR-UHFFFAOYSA-N

Flash Point: 155°C
Safety Data
 

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