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Benzaldehyde,4-[bis(2-hydroxyethyl)amino]- (27913-86-6)

Identification
Name:Benzaldehyde,4-[bis(2-hydroxyethyl)amino]-
Synonyms:Benzaldehyde,p-[bis(2-hydroxyethyl)amino]- (6CI,8CI);4-(N,N-Diethanolamino)benzaldehyde;4-[Bis(2-hydroxyethyl)amino]benzaldehyde;4-[N,N-Bis(2-hydroxyethyl)amino]benzaldehyde;4-[N,N-Di(2-hydroxyethyl)amino]benzaldehyde;p-Bis(2-hydroxyethyl)aminobenzaldehyde;
CAS:27913-86-6
Molecular Formula: C11H15NO3
Molecular Weight: 209.24
InChI: InChI=1/C11H15NO3/c13-7-5-12(6-8-14)11-3-1-10(9-15)2-4-11/h1-4,9,13-14H,5-8H2
Molecular Structure: (C11H15NO3) Benzaldehyde,p-[bis(2-hydroxyethyl)amino]- (6CI,8CI);4-(N,N-Diethanolamino)benzaldehyde;4-[Bis(2-hyd...
Properties
Melting Point: 55-62 ºC
Density:1.252 g/cm3
Refractive index:1.633
Appearance:light yellow powder
Specification:

The systematic name of this chemical is 4-[bis(2-hydroxyethyl)amino]benzaldehyde. With the CAS registry number 27913-86-6, it is also named as benzaldehyde, 4-[bis(2-hydroxyethyl)amino]-. The product's categories are Aldehydes; C10 to C21; Carbonyl Compounds. It is light yellow powder which should be sealed in the container and stored in the cool and dry place.

The other characteristics of 4-[N,N-Bis(2-hydroxyethyl)amino]benzaldehyde can be summarized as: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34; (8)ACD/KOC (pH 7.4): 34; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 59.655 cm3; (14)Molar Volume: 167.116 cm3; (15)Polarizability: 23.649×10-24 cm3; (16)Surface Tension: 61.184 dyne/cm ; (17)Flash Point: 215.925 °C; (18)Enthalpy of Vaporization: 72.664 kJ/mol; (19)Boiling Point: 433.42 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. 

People can use the following data to convert to the molecule structure.
1. SMILES:OCCN(CCO)c1ccc(cc1)C=O
2. InChI:InChI=1/C11H15NO3/c13-7-5-12(6-8-14)11-3-1-10(9-15)2-4-11/h1-4,9,13-14H,5-8H2

Safety Data
Hazard Symbols Xi: Irritant