Benzenemethanamine,4-(1-pyrrolidinyl)- supplier

Name
4-(PYRROLIDIN-1-YL)BENZYLAMINE
EINECS
CAS No. 114365-04-7
Article Data5
CAS DataBase
Density 1.075 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆N₂
Boiling Point 327 °C at 760 mmHg
Molecular Weight 176.261
Flash Point 132.1 °C
Transport Information
Appearance
Safety
Risk Codes C,Xi:Corrosive;
Molecular Structure
Hazard Symbols C, Xi
Synonyms [4-(Pyrrolidin-1-yl)phenyl]methanamine;4-(1-Pyrrolidinyl)benzylamine;
PSA 29.26000
LogP 2.51080

Benzenemethanamine,4-(1-pyrrolidinyl)- Specification

The Benzenemethanamine, 4-(1-pyrrolidinyl)-, with the CAS registry number of 114365-04-7, is also known as 1-(4-Pyrrolidin-1-ylphenyl)methanamine. This chemical's molecular formula is C₁₁H₁₆N₂ and molecular weight is 176.26. What's more, its IUPAC name is (4-Pyrrolidin-1-ylphenyl)methanamine. In addition, this chemical may cause inflammation to the skin or other mucous membranes. Besides, it may destroy living tissue on contact.

Physical properties about Benzenemethanamine, 4-(1-pyrrolidinyl)- are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -0.72; (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): 1.18; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 54.9 cm³; (15)Molar Volume: 163.9 cm³; (16)Surface Tension: 46.7 dyne/cm; (17)Density: 1.075 g/cm³; (18)Flash Point: 132.1 °C; (19)Enthalpy of Vaporization: 56.93 kJ/mol; (20)Boiling Point: 327 °C at 760 mmHg; (21)Vapour Pressure: 0.000208 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1(ccc(cc1)N2CCCC2)CN
(2) InChI: InChI=1/C11H16N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2
(3) InChIKey: OCVQUKOCFUOCBM-UHFFFAOYAU

Product Name

4-(PYRROLIDIN-1-YL)BENZYLAMINE

Benzenemethanamine,4-(1-pyrrolidinyl)- Specification

Related Products

Hot Products