Benzenamine, 4-[2-(1-pyrrolidinyl)ethyl]- supplier

Name
4-(2-PYRROLIDIN-1-YL-ETHYL)-ANILINE
EINECS
CAS No. 168897-20-9
Article Data6
CAS DataBase
Density 1.055 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₈N₂
Boiling Point 314.9 °C at 760 mmHg
Molecular Weight 190.288
Flash Point 129.2 °C
Transport Information
Appearance
Safety 26
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(2-(Pyrrolidin-1-yl)ethyl)phenylamine;4-[2-(Pyrrolidin-1-yl)ethyl]aniline;4-(2-Pyrrolidin-1-yl-ethyl)-phenylamine;
PSA 29.26000
LogP 2.42620

Benzenamine, 4-[2-(1-pyrrolidinyl)ethyl]- Specification

The Benzenamine, 4-[2-(1-pyrrolidinyl)ethyl]-, with the CAS registry number 168897-20-9, is also known as 4-(2-Pyrrolidin-1-yl-ethyl)-phenylamine. This chemical's molecular formula is C₁₂H₁₈N₂ and molecular weight is 190.28. What's more, both its IUPAC name and systematic name are the same which is called 4-(2-Pyrrolidin-1-ylethyl)aniline. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzenamine, 4-[2-(1-pyrrolidinyl)ethyl]- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.71; (4)ACD/LogD (pH 7.4): -1.32; (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: 1.58; (14)Molar Refractivity: 60.06 cm³; (15)Molar Volume: 180.3 cm³; (16)Polarizability: 23.81×10^-24cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.055 g/cm³; (19)Flash Point: 129.2 °C; (20)Enthalpy of Vaporization: 55.61 kJ/mol; (21)Boiling Point: 314.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000453 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ccc(N)c1)CCN2CCCC2
(2)InChI: InChI=1/C12H18N2/c13-12-5-3-11(4-6-12)7-10-14-8-1-2-9-14/h3-6H,1-2,7-10,13H2
(3)InChIKey: WAOKZNBDXFOXSA-UHFFFAOYAO

Product Name

4-(2-PYRROLIDIN-1-YL-ETHYL)-ANILINE

Benzenamine, 4-[2-(1-pyrrolidinyl)ethyl]- Specification

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