Benzenamine,3-(1-pyrrolidinyl)- supplier

Name
3-PYRROLIDIN-1-YL-PHENYLAMINE
EINECS
CAS No. 115833-93-7
Article Data10
CAS DataBase
Density 1.109 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄N₂
Boiling Point 332.6 °C at 760 mmHg
Molecular Weight 162.235
Flash Point 132.1 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(Pyrrolidin-1-yl)aniline;[3-(Pyrrolidin-1-yl)phenyl]amine;
PSA 29.26000
LogP 2.51520

Benzenamine,3-(1-pyrrolidinyl)- Specification

The Benzenamine,3-(1-pyrrolidinyl)-, with its CAS registry number 115833-93-7, has the systematic name of 3-(pyrrolidin-1-yl)aniline. With the molecular foumula of C₁₀H₁₄N₂, its formula weight is 162.23. Beside, it belongs to the product categories which include Amines; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. When you are dealing with it, you should be careful. This chemical is irritant which may cause inflammation to the skin or other mucous membranes.

The characteristics of Benzenamine,3-(1-pyrrolidinyl)- are as follows: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 2.1; (6)ACD/BCF (pH 7.4): 4.23; (7)ACD/KOC (pH 5.5): 48.44; (8)ACD/KOC (pH 7.4): 97.3; (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: 1.609; (14)Molar Refractivity: 50.69 cm³; (15)Molar Volume: 146.2 cm³; (16)Polarizability: 20.09×10^-24cm³; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.109 g/cm³; (19)Flash Point: 132.1 °C; (20)Enthalpy of Vaporization: 57.54 kJ/mol; (21)Boiling Point: 332.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000144 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:c1c(cc(cc1)N2CCCC2)N
(2)InChI:InChI=1/C10H14N2/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7,11H2
(3)InChIKey:DNPBFTQZONVQDX-UHFFFAOYAE
(4)Std. InChI:InChI=1S/C10H14N2/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7,11H2
(5)Std. InChIKey:DNPBFTQZONVQDX-UHFFFAOYSA-N

Product Name

3-PYRROLIDIN-1-YL-PHENYLAMINE

Benzenamine,3-(1-pyrrolidinyl)- Specification

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