Name: (2-AMINO-2-PHENYLETHYL)DIMETHYLAMINE
SKU: 31788-88-2

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Basic Information

Molecular Structure:
CAS No.:	31788-88-2
Name:	(2-AMINO-2-PHENYLETHYL)DIMETHYLAMINE
Article Data:	1

Formula:	C₁₀H₁₆N₂
Molecular Weight:	164.25
Synonyms:	Ethylenediamine,N²,N²-dimethyl-1-phenyl- (8CI);N-(2-Dimethylamino-1-phenylethyl)amine;N',N'-Dimethyl-1-phenylethane-1,2-diamine;N-(2-Amino-2-phenylethyl)-N,N-dimethylamine;
Density:	0.983 g/cm³
Boiling Point:	238.2 °C at 760 mmHg
Flash Point:	91.2 °C
Hazard Symbols:	Xi
Risk Codes:	37/38-41
Safety:	26-39
PSA:	29.26000
LogP:	1.94830

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Specification

The 1,2-Ethanediamine,N²,N²-dimethyl-1-phenyl-, with the CAS registry number 31788-88-2, has the IUPAC name of N',N'-dimethyl-1-phenylethane-1,2-diamine. It is also called N²,N²-Dimethyl-1-phenylethane-1,2-diamine. And the molecular formula of the chemical is C₁₀H₁₆N₂.

The characteristics of 1,2-Ethanediamine,N²,N²-dimethyl-1-phenyl- are as followings: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.12; (4)ACD/LogD (pH 7.4): -1.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 52.32 cm³; (15)Molar Volume: 166.9 cm³; (16)Polarizability: 20.74×10^-24cm³; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 0.983 g/cm³; (19)Flash Point: 91.2 °C; (20)Enthalpy of Vaporization: 47.51 kJ/mol; (21)Boiling Point: 238.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0429 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NC(c1ccccc1)CN(C)C
(2)InChI: InChI=1/C10H16N2/c1-12(2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3
(3)InChIKey: NPGAXSHDDOESHB-UHFFFAOYAH