3′-Hydroxymethyl-n,n-dimethyl-4-aminoazobenzene supplier

Name
3'-hydroxymethyl-4-(dimethylamino)azobenzene
EINECS
CAS No. 35282-69-0
Article Data1
CAS DataBase
Density 1.09g/cm³
Solubility
Melting Point
Formula C₁₅H₁₇N₃O
Boiling Point 444.7 °C at 760 mmHg
Molecular Weight 255.35
Flash Point 222.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenemethanol,3-[[4-(dimethylamino)phenyl]azo]- (9CI);3'-Hydroxymethyl-4-dimethylaminoazobenzene;3'-Hydroxymethyl-N,N-dimethyl-4-aminoazobenzene;4-(Dimethylamino)-3'-(hydroxymethyl)azobenzene;
PSA 48.19000
LogP 3.66030

3′-Hydroxymethyl-n,n-dimethyl-4-aminoazobenzene Specification

The 3'-Hydroxymethyl-n,n-dimethyl-4-aminoazobenzene, with CAS registry number 35282-69-0, has the systematic name of (3-{(E)-[4-(dimethylamino)phenyl]diazenyl}phenyl)methanol. And its IUPAC name is [3-[(4-dimethylaminophenyl)diazenyl]phenyl]methanol. And its classification codes are Drug / Therapeutic Agent, Mutation data, Tumor data. And the chemical formula of this chemical is C₁₅H₁₇N₃O.

Physical properties of 3'-Hydroxymethyl-n,n-dimethyl-4-aminoazobenzene: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 172.12; (6)ACD/BCF (pH 7.4): 172.39; (7)ACD/KOC (pH 5.5): 1386.21; (8)ACD/KOC (pH 7.4): 1388.36; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 37.19 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 77.12 cm³; (15)Molar Volume: 232.8 cm³; (16)Polarizability: 30.57×10^-24cm³; (17)Surface Tension: 40.7 dyne/cm; (18)Enthalpy of Vaporization: 74.04 kJ/mol; (19)Vapour Pressure: 1.09E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(=N/c1cccc(c1)CO)\c2ccc(N(C)C)cc2
(2)InChI: InChI=1/C15H17N3O/c1-18(2)15-8-6-13(7-9-15)16-17-14-5-3-4-12(10-14)11-19/h3-10,19H,11H2,1-2H3/b17-16+
(3)InChIKey: TWXQGEYDRNHPCH-WUKNDPDIBE
(4)Std. InChI: InChI=1S/C15H17N3O/c1-18(2)15-8-6-13(7-9-15)16-17-14-5-3-4-12(10-14)11-19/h3-10,19H,11H2,1-2H3/b17-16+
(5)Std. InChIKey: TWXQGEYDRNHPCH-WUKNDPDISA-N

The toxicity data is as follows:

1	mmo-sat 1 µmol/plate	CRNGDP Carcinogenesis. 4 (1983),1487.
2	mma-sat 1 µmol/L	CPBTAL Chemical and Pharmaceutical Bulletin. 32 (1984),3641.
3	dns-rat:lvr 1 µmol/L	CNREA8 Cancer Research. 46 (1986),1654.

Product Name

3'-hydroxymethyl-4-(dimethylamino)azobenzene

3′-Hydroxymethyl-n,n-dimethyl-4-aminoazobenzene Specification

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