Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Carbamic acid,(1-methyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester (9CI) |
EINECS | N/A |
CAS No. | 748184-01-2 | Density | 1.03 g/cm3 |
PSA | 45.06000 | LogP | 1.35750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H20N2O2 | Boiling Point | 280.3 °C at 760 mmHg |
Molecular Weight | 200.281 | Flash Point | 123.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(1-Methyl-pyrrolidin-3-yl)-carbamic acidtert-butylester;tert-butyl (1-methylpyrrolidin-3-yl)carbamate; |
Article Data | 2 |
The Carbamic acid,(1-methyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester (9CI), with the CAS registry number 748184-01-2, is also known as (1-Methyl-pyrrolidin-3-yl)-carbamic acidtert-butylester. It belongs to the product category of N-BOC. This chemical's molecular formula is C10H20N2O2 and molecular weight is 200.28. What's more, its systematic name is tert-butyl (1-methylpyrrolidin-3-yl)carbamate.
Physical properties of Carbamic acid,(1-methyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester (9CI) are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.25; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 41.57 Å2; (11)Index of Refraction: 1.485; (12)Molar Refractivity: 55.67 cm3; (13)Molar Volume: 194 cm3; (14)Polarizability: 22.07×10-24 cm3; (15)Surface Tension: 36 dyne/cm; (16)Density: 1.03 g/cm3; (17)Flash Point: 123.3 °C; (18)Enthalpy of Vaporization: 51.9 kJ/mol; (19)Boiling Point: 280.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00382 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1CCC(NC(=O)OC(C)(C)C)C1
(2)InChI: InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)11-8-5-6-12(4)7-8/h8H,5-7H2,1-4H3,(H,11,13)
(3)InChIKey: ZAAYKTCDODPVPD-UHFFFAOYAR