3'-Formyl-n,n-dimethyl-4-aminoazo-benzene supplier

Name
3-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzaldehyde
EINECS
CAS No. 69321-17-1
Article Data1
CAS DataBase
Density 1.08g/cm³
Solubility
Melting Point
Formula C₁₅H₁₅N₃O
Boiling Point 434.3 °C at 760 mmHg
Molecular Weight 253.304
Flash Point 216.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-dimethylaminophenyl)diazenylbenzaldehyde;3-Formyl-N,N-dimethyl-4-aminoazobenzene;BENZALDEHYDE, m-((p-(DIMETHYLAMINO)PHENYL)AZO)-;Benzaldehyde, 3-((4-(dimethylamino)phenyl)azo)-;3-((p-(Dimethylamino)phenyl)azo)benzaldehyde;2-16-00-00163 (Beilstein Handbook Reference);3-(((p-DIMETHYLAMINO)PHENYL)AZO)-BENZALDEHYDE;3-((4-(DIMETHYLAMINO)PHENYL)AZO)BENZ-ALDEHYDE;
PSA
LogP

3'-Formyl-n,n-dimethyl-4-aminoazo-benzene Specification

The 3'-Formyl-n,n-dimethyl-4-aminoazo-benzene, with CAS registry number 69321-17-1, has the systematic name of 3-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzaldehyde. And its IUPAC name is 3-[(4-dimethylaminophenyl)diazenyl]benzaldehyde. And its classification code is Mutation data.

Physical properties of 3'-Formyl-n,n-dimethyl-4-aminoazo-benzene: (1)ACD/LogP: 3.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 3.91; (5)ACD/BCF (pH 5.5): 551.83; (6)ACD/BCF (pH 7.4): 552.34; (7)ACD/KOC (pH 5.5): 3192.06; (8)ACD/KOC (pH 7.4): 3195.02; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 45.03 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: 69.04 kJ/mol; (19)Vapour Pressure: 9.58E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2cc(/N=N/c1ccc(N(C)C)cc1)ccc2
(2)InChI: InChI=1/C15H15N3O/c1-18(2)15-8-6-13(7-9-15)16-17-14-5-3-4-12(10-14)11-19/h3-11H,1-2H3/b17-16+
(3)InChIKey: NBNCAYZMACDXDT-WUKNDPDIBY
(4)Std. InChI: InChI=1S/C15H15N3O/c1-18(2)15-8-6-13(7-9-15)16-17-14-5-3-4-12(10-14)11-19/h3-11H,1-2H3/b17-16
(5)Std. InChIKey: NBNCAYZMACDXDT-WUKNDPDISA-N

The toxicity data is as follows:

1.	mmo-sat 1 µmol/plate	CRNGDP Carcinogenesis. 4 (1983),1487.
2.	mma-sat 1 µmol/plate	CRNGDP Carcinogenesis. 1 (1980),121.
3.	dns-rat:lvr 1 µmol/L	CNREA8 Cancer Research. 46 (1986),1654.

Product Name

3-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzaldehyde

3'-Formyl-n,n-dimethyl-4-aminoazo-benzene Specification

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