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| CAS No.: | 149366-79-0 |
|---|---|
| Name: | 3-Boc-aminomethylpyrrolidine |
| Molecular Structure: | |
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| Formula: | C10H20N2O2 |
| Molecular Weight: | 200.281 |
| Synonyms: | Carbamicacid, (3-pyrrolidinylmethyl)-, 1,1-dimethylethyl ester (9CI);(Pyrrolidin-3-ylmethyl)carbamic acid tert-butyl ester;3-(tert-Butoxycarbonylaminomethyl)pyrrolidine;3-Boc-aminomethyl-pyrrolidine; |
| Density: | 0.997 g/cm3 |
| Boiling Point: | 303.9 °C at 760 mmHg |
| Flash Point: | 137.6 °C |
| PSA: | 50.36000 |
| LogP: | 1.84030 |
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Specification
The Carbamic acid,N-(3-pyrrolidinylmethyl)-, 1,1-dimethylethyl ester with the CAS number 149366-79-0 is also called (Pyrrolidin-3-ylmethyl)carbamic acid tert-butyl ester. Both the systematic name and IUPAC name are tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate. Its molecular formula is C10H20N2O2. This chemical belongs to the following product categories: (1)Pharmacetical; (2)Pyrrole & Pyrrolidine & Pyrroline.
The properties of the Carbamic acid,N-(3-pyrrolidinylmethyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.16; (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: 4; (10)Polar Surface Area: 32.78 Å2; (11)Index of Refraction: 1.46; (12)Molar Refractivity: 54.98 cm3; (13)Molar Volume: 200.6 cm3; (14)Polarizability: 21.79×10-24cm3; (15)Surface Tension: 33.8 dyne/cm; (16)Enthalpy of Vaporization: 54.43 kJ/mol; (17)Vapour Pressure: 0.000902 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCC1CCNC1
(2)InChI: InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-4-5-11-6-8/h8,11H,4-7H2,1-3H3,(H,12,13)
(3)InChIKey: WIEJVMZWPIUWHO-UHFFFAOYAW