Name: N,N-DIMETHYL-PHENYLENEDIAMINE
SKU: 2836-03-5

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Basic Information

Molecular Structure:
CAS No.:	2836-03-5
Name:	N,N-DIMETHYL-PHENYLENEDIAMINE
Article Data:	23

Formula:	C₈H₁₂N₂
Molecular Weight:	136.197
Synonyms:	1,2-Benzenediamine,N,N-dimethyl- (9CI);o-Phenylenediamine, N,N-dimethyl- (7CI,8CI);1-Amino-2-(dimethylamino)benzene;2-(Dimethylamino)aniline;2-(N,N-Dimethylamino)aniline;2-Amino-N,N-dimethylaniline;N,N-Dimethyl-1,2-benzenediamine;N,N-Dimethyl-o-phenylenediamine;o-(Dimethylamino)aniline;
Density:	1.049 g/cm³
Boiling Point:	229.9 °C at 760 mmHg
Flash Point:	82.3 °C
PSA:	29.26000
LogP:	1.91600

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Specification

This chemical is called 2-Amino-N,N-dimethylaniline, and its systematic name is 1,2-Benzenediamine, N,N-dimethyl-. With the molecular formula of C₈H₁₂N₂, its molecular weight is 136.19. The CAS registry number of this chemical is 2836-03-5.

Other characteristics of the 2-Amino-N,N-dimethylaniline can be summarised as followings: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.32; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.02; (7)ACD/KOC (pH 5.5): 3.6; (8)ACD/KOC (pH 7.4): 70.57; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 44.8 cm³; (15)Molar Volume: 129.7 cm³; (16)Polarizability: 17.76×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.049 g/cm³; (19)Flash Point: 82.3 °C; (20)Enthalpy of Vaporization: 46.65 kJ/mol; (21)Boiling Point: 229.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0678 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Nc1ccccc1N(C)C
2.InChI: InChI=1/C8H12N2/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3
3.InChIKey: HJXIRCMNJLIHQR-UHFFFAOYAM
4.Std. InChI: InChI=1S/C8H12N2/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3
5.Std. InChIKey: HJXIRCMNJLIHQR-UHFFFAOYSA-N