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tert-Butyl 3-(methylamino)propylcarbamate

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Name

tert-Butyl 3-(methylamino)propylcarbamate

EINECS N/A
CAS No. 442514-22-9 Density 0.95 g/cm3
PSA 50.36000 LogP 1.90240
Solubility N/A Melting Point N/A
Formula C9H20N2O2 Boiling Point 280.3 °C at 760 mmHg
Molecular Weight 188.27 Flash Point 123.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 442514-22-9 (tert-Butyl 3-(methylamino)propylcarbamate) Hazard Symbols N/A
Synonyms

(3-Methylaminopropyl)carbamic acid tert-butyl ester;1-(tert-Butoxycarbonylamino)-3-methylaminopropane;

Article Data 11

tert-Butyl 3-(methylamino)propylcarbamate Specification

The Carbamic acid,N-[3-(methylamino)propyl]-, 1,1-dimethylethyl ester with the CAS number 442514-22-9 is also called (3-Methylaminopropyl)carbamic acid tert-butyl ester. The systematic name is tert-butyl [3-(methylamino)propyl]carbamate. Its molecular formula is C9H20N2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Carbamic acid,N-[3-(methylamino)propyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 0.99; (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; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 32.78Å2; (11)Index of Refraction: 1.444; (12)Molar Refractivity: 52.67 cm3; (13)Molar Volume: 198.2 cm3; (14)Polarizability: 20.88×10-24cm3; (15)Surface Tension: 30.5 dyne/cm; (16)Enthalpy of Vaporization: 51.9 kJ/mol; (17)Vapour Pressure: 0.00381 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCCCNC
(2)InChI: InChI=1/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-6-10-4/h10H,5-7H2,1-4H3,(H,11,12)
(3)InChIKey: YIMSPDZAVBIXRT-UHFFFAOYAR

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