Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenemethanamine,4-(1-pyrrolidinyl)- |
EINECS | N/A |
CAS No. | 114365-04-7 | Density | 1.075 g/cm3 |
PSA | 29.26000 | LogP | 2.51080 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H16N2 | Boiling Point | 327 °C at 760 mmHg |
Molecular Weight | 176.261 | Flash Point | 132.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
C,Xi:Corrosive; |
|
Molecular Structure | Hazard Symbols | C, Xi | |
Synonyms |
[4-(Pyrrolidin-1-yl)phenyl]methanamine;4-(1-Pyrrolidinyl)benzylamine; |
Article Data | 5 |
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