Benzenamine,3-methoxy-4-(1-pyrrolidinyl)- supplier

Name
1-(4-amino-2-methoxyphenyl)pyrrolidine
EINECS 240-242-6
CAS No. 16089-42-2
Article Data2
CAS DataBase
Density 1.129 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆N₂O
Boiling Point 376.2 °C at 760 mmHg
Molecular Weight 192.261
Flash Point 181.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrrolidine,1-(4-amino-2-methoxyphenyl)- (8CI);3-Methoxy-4-(pyrrolidin-1-yl)aniline;1-(4-Amino-2-methoxyphenyl)pyrrolidine;N-(4-Amino-2-methoxyphenyl)pyrrolidine;
PSA 38.49000
LogP 2.52380

Benzenamine,3-methoxy-4-(1-pyrrolidinyl)- Specification

The Benzenamine,3-methoxy-4-(1-pyrrolidinyl)-, with the CAS registry number 16089-42-2, is also known as N-(4-Amino-2-methoxyphenyl)pyrrolidine. It belongs to the product categories of Amines and Anilines; Heterocycles. Its EINECS number is 240-242-6. This chemical's molecular formula is C₁₁H₁₆N₂O and molecular weight is 192.26. What's more, its systematic name is 3-methoxy-4-pyrrolidin-1-ylaniline.

Physical properties of Benzenamine,3-methoxy-4-(1-pyrrolidinyl)- are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.04; (4)ACD/LogD (pH 7.4): 0.48; (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): 22.09; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 15.71 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 57.37 cm³; (15)Molar Volume: 170.2 cm³; (16)Polarizability: 22.74×10^-24cm³; (17)Surface Tension: 47.6 dyne/cm; (18)Density: 1.129 g/cm³; (19)Flash Point: 181.3 °C; (20)Enthalpy of Vaporization: 62.39 kJ/mol; (21)Boiling Point: 376.2 °C at 760 mmHg; (22)Vapour Pressure: 7.35E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=CC(=C1)N)N2CCCC2
(2)InChI: InChI=1S/C11H16N2O/c1-14-11-8-9(12)4-5-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
(3)InChIKey: YVEZBGKUTDESAG-UHFFFAOYSA-N

Product Name

1-(4-amino-2-methoxyphenyl)pyrrolidine

Benzenamine,3-methoxy-4-(1-pyrrolidinyl)- Specification

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