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92-14-8

Basic Information
CAS No.: 92-14-8
Name: 4-Diethylamino-2-methylbenzaldehyde
Article Data: 9
Molecular Structure:
Molecular Structure of 92-14-8 (4-Diethylamino-2-methylbenzaldehyde)
Formula: C12H17NO
Molecular Weight: 191.273
Synonyms: o-Tolualdehyde,4-(diethylamino)- (6CI,8CI);2-Methyl-4-diethylaminobenzaldehyde;4-(Diethylamino)-2-methylbenzaldehyde;4-(Diethylamino)-o-tolualdehyde;NSC7208;p-(Diethylamino)-2-tolualdehyde;
EINECS: 202-130-5
Density: 1.015 g/cm3
Melting Point: 81 - 83oC
Boiling Point: 322.5 °C at 760 mmHg
Flash Point: 119.7 °C
Appearance: Dry yellow viscous liquid to tan
PSA: 20.31000
LogP: 2.65370
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Specification

This chemical is called 4-Diethylamino-2-methylbenzaldehyde, and it can also be named as Benzaldehyde, 4- (diethylamino)-2-methyl-. With the molecular formula of C12H17NO, its molecular weight is 191.27. The CAS registry number of this chemical is 92-14-8. In addition, this chemical is often used as intermediates for dye.

Other characteristics of the 4-Diethylamino-2-methylbenzaldehyde can be summarised as followings: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 198.83; (6)ACD/BCF (pH 7.4): 200.84; (7)ACD/KOC (pH 5.5): 1533.19; (8)ACD/KOC (pH 7.4): 1548.73; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 61.4 cm3; (15)Molar Volume: 188.3 cm3; (16)Polarizability: 24.34×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.015 g/cm3; (19)Flash Point: 119.7 °C; (20)Enthalpy of Vaporization: 56.43 kJ/mol; (21)Boiling Point: 322.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000279 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=Cc1c(cc(N(CC)CC)cc1)C
2.InChI: InChI=1/C12H17NO/c1-4-13(5-2)12-7-6-11(9-14)10(3)8-12/h6-9H,4-5H2,1-3H3
3.InChIKey: KCZRCYBAYWJVGD-UHFFFAOYAB