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92-02-4

Basic Information
CAS No.: 92-02-4
Name: N-(3-Bis(2-hydroxyethylamino)phenyl)acetamide
Article Data: 5
Molecular Structure:
Molecular Structure of 92-02-4 (N-(3-Bis(2-hydroxyethylamino)phenyl)acetamide)
Formula: C12H18N2O3
Molecular Weight: 238.287
Synonyms: Acetanilide,3'-[bis(2-hydroxyethyl)amino]- (6CI,8CI);3-(Acetylamino)-N,N-bis(2-hydroxyethyl)aniline;3-Acetamido-N,N-bis(2-hydroxyethyl)aniline;3-Acetylamino-N,N-di(b-hydroxyethyl)aniline;3'-[Bis(2-hydroxyethyl)amino]acetanilide;N,N-Bis(b-hydroxyethyl)-m-(acetylamino)aniline;m-Acetamido-N,N-bis(2-hydroxyethyl)aniline;m-[Bis(2-hydroxyethyl)amino]acetanilide;
EINECS: 202-117-4
Density: 1.263 g/cm3
Melting Point: 111-115 °C(lit.)
Boiling Point: 521.1 °C at 760 mmHg
Flash Point: 269 °C
PSA: 72.80000
LogP: 0.50900
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Specification

The cas register number of N-(3-Bis(2-hydroxyethylamino)phenyl)acetamide is 92-02-4. It also can be called as Acetamide,N-[3-[bis(2-hydroxyethyl)amino]phenyl]- and the IUPAC Name about this chemical is N-[3-[bis(2-hydroxyethyl)amino]phenyl]acetamide. It belongs to the Intermediates of Dyes and Pigments.

Physical properties about N-(3-Bis(2-hydroxyethylamino)phenyl)acetamide are: (1)ACD/LogP: -0.23; (2)ACD/LogD (pH 5.5): -0.33; (3)ACD/LogD (pH 7.4): -0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.03; (7)ACD/KOC (pH 7.4): 17.87; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 42.01Å2; (12)Index of Refraction: 1.631; (13)Molar Refractivity: 67.17 cm3; (14)Molar Volume: 188.5 cm3; (15)Polarizability: 26.62x10-24cm3; (16)Surface Tension: 60.6 dyne/cm; (17)Enthalpy of Vaporization: 83.61 kJ/mol; (18)Vapour Pressure: 1.1E-11 mmHg at 25°C.

Uses of N-(3-Bis(2-hydroxyethylamino)phenyl)acetamide: it can be used to produce N-[5-[bis-(2-hydroxy-ethyl)-amino]-2-(3-cyano-4,9-dioxo-4,9-dihydro-naphtho[2,3-b]thiophen-2-ylazo)-phenyl]-acetamide with 2-amino-4,9-dioxo-4,9-dihydro-naphtho[2,3-b]thiophene-3-carbonitrile at temperature of 5//10 - 15 ℃. This reaction is a kind of Diazotization//coupling. It will need reagentnitrosyl sulfuric acid, acetic acid, AcOH, AcONa  with reaction time of 1 hours. The value of PH is 4.5 - 5.5. The yield is about 56%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC1=CC(=CC=C1)N(CCO)CCO
(2)InChI: InChI=1S/C12H18N2O3/c1-10(17)13-11-3-2-4-12(9-11)14(5-7-15)6-8-16/h2-4,9,15-16H,5-8H2,1H3,(H,13,17)
(3)InChIKey: BPAFLIGSSPTQHU-UHFFFAOYSA-N