3-N-Boc-3-N-Methylaminopyrrolidine supplier

Name
3-N-Boc-3-N-Methylaminopyrrolidine
EINECS
CAS No. 172478-00-1
Article Data8
CAS DataBase
Density 1.032 g/cm³
Solubility
Melting Point
Formula C₁₀H₂₀N₂O₂
Boiling Point 268.252 °C at 760 mmHg
Molecular Weight 200.281
Flash Point 116.035 °C
Transport Information
Appearance
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;
PSA 41.57000
LogP 1.54400

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

Product Name

3-N-Boc-3-N-Methylaminopyrrolidine

3-N-Boc-3-N-Methylaminopyrrolidine Specification

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