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Carbamic acid,(1-methyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester (9CI)

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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 Molecular Structure of 748184-01-2 (Carbamic acid, (1-methyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester (9CI)) Hazard Symbols N/A
Synonyms

(1-Methyl-pyrrolidin-3-yl)-carbamic acidtert-butylester;tert-butyl (1-methylpyrrolidin-3-yl)carbamate;

Article Data 2

Carbamic acid,(1-methyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester (9CI) Specification

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

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