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Cas Database |
| Name |
3-N-Boc-3-N-Methylaminopyrrolidine |
EINECS | N/A |
| CAS No. | 172478-00-1 | Density | 1.032 g/cm3 |
| PSA | 41.57000 | LogP | 1.54400 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H20N2O2 | Boiling Point | 268.252 °C at 760 mmHg |
| Molecular Weight | 200.281 | Flash Point | 116.035 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | R36/37/38:; |
| Synonyms |
Carbamicacid, methyl-3-pyrrolidinyl-, 1,1-dimethylethyl ester (9CI);(Methyl)(pyrrolidin-3-yl)carbamic acid 1,1-dimethylethyl ester;1,1-Dimethylethyl N-methyl (3-pyrrolidinyl)carbamate;3-(N-Boc-N-methylamino)pyrrolidine;3-(N-Methyl-N-tert-butoxycarbonylamino)pyrrolidine;3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine;3-(N-tert-Butyloxycarbonyl-N-methylamino)pyrrolidine;3-[(tert-Butoxycarbonyl)(methyl)amino]pyrrolidine;3-[N-(tert-Butoxycarbonyl)methylamino]pyrrolidine;N-Methyl-N-(pyrrolidin-3-yl)carbamic acid tert-butyl ester;tert-Butyl(R,S)-N-methyl-N-pyrrolidin-3-ylcarbamate;tert-ButylN-methyl(3-pyrrolidinyl)carbamate;tert-ButylN-methyl-N-(pyrrolidin-3-yl)carbamate;tert-Butylmethyl(pyrrolidin-3-yl)carbamate;tert-Butyl methyl[pyrrolidin-3-yl]carbamate; |
Article Data | 8 |
3-N-Boc-3-N-Methylaminopyrrolidine Specification
The 3-N-Boc-3-N-Methylaminopyrrolidine with the cas number 172478-00-1 is also called Carbamic acid,N-methyl-N-3-pyrrolidinyl-, 1,1-dimethylethyl ester. The systematic name is tert-butyl methyl(pyrrolidin-3-yl)carbamate. Its molecular formula is C10H20N2O2. This chemical belongs to the following product categories: (1)3-Aminopyrrolidines; (2)3-Aminopyrrolidines (Racemic).
The properties of the chemical are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.93; (4)ACD/LogD (pH 7.4): -0.99; (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): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 55.67 cm3; (15)Molar Volume: 194 cm3; (16)Polarizability: 22.07×10-24cm3; (17)Surface Tension: 36 dyne/cm; (18)Enthalpy of Vaporization: 50.63 kJ/mol; (19)Vapour Pressure: 0.00777 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N(C)C1CCNC1
(2)InChI: InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8/h8,11H,5-7H2,1-4H3
(3)InChIKey: XYKYUXYNQDXZTD-UHFFFAOYAF
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