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| CAS No.: | 25672-97-3 |
|---|---|
| Name: | Benzoic acid, 2-(aminomethyl)- (9CI) |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H9NO2 |
| Molecular Weight: | 151.165 |
| Synonyms: | o-Toluicacid, a-amino- (6CI,8CI);NSC 127011;o-(Aminomethyl)benzoic acid; |
| Density: | 1.239 g/cm3 |
| Melting Point: | 211 °C |
| Boiling Point: | 310.7 °C at 760 mmHg |
| Flash Point: | 141.7 °C |
| PSA: | 63.32000 |
| LogP: | 1.54380 |
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Specification
This chemical is called Benzoic acid, 2-(aminomethyl)-, and its systematic name is 2-(aminomethyl)benzoic acid. With the molecular formula of C8H9NO2, its molecular weight is 151.16. The CAS registry number of this chemical is 25672-97-3. Additionally, its product category is Carboxylicacid.
Other characteristics of the Benzoic acid, 2-(aminomethyl)- can be summarised as followings: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 41.63 cm3; (13)Molar Volume: 121.9 cm3; (14)Polarizability: 16.5×10-24cm3; (15)Surface Tension: 57.1 dyne/cm; (16)Density: 1.239 g/cm3; (17)Flash Point: 141.7 °C; (18)Enthalpy of Vaporization: 58.23 kJ/mol; (19)Boiling Point: 310.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000254 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1ccccc1CN
2.InChI: InChI=1/C8H9NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5,9H2,(H,10,11)
3.InChIKey: CLTMYNWFSDZKKI-UHFFFAOYAF