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CAS No.: | 122536-73-6 |
---|---|
Name: | (R)-3-AMINO-1-CBZ-PYRROLIDINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H16N2O2 |
Molecular Weight: | 220.271 |
Synonyms: | (R)-3-Amino-1-Cbz-pyrrolidine;1-Pyrrolidinecarboxylicacid, 3-amino-, phenylmethyl ester, (R)-; |
Density: | 1.186 g/cm3 |
Melting Point: | 310-316℃ |
Boiling Point: | 351.7 °C at 760 mmHg |
Flash Point: | 166.5 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36 |
PSA: | 55.56000 |
LogP: | 1.99440 |
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The 1-Pyrrolidinecarboxylicacid, 3-amino-, phenylmethyl ester, (3R)- is an organic compound with the formula C12H16N2O2. The systematic name of this chemical is benzyl (3R)-3-aminopyrrolidine-1-carboxylate. With the CAS registry number 122536-73-6, it is also named as (R)-1-Cbz-3-aminopyrrolidine. In addition, the molecular weight is 220.27.
The other characteristics of 1-Pyrrolidinecarboxylicacid, 3-amino-, phenylmethyl ester, (3R)- can be summarized as: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.16; (4)ACD/LogD (pH 7.4): -1.19; (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: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 61 cm3; (15)Molar Volume: 185.6 cm3; (16)Polarizability: 24.18×10-24 cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.186 g/cm3; (19)Flash Point: 166.5 °C; (20)Enthalpy of Vaporization: 59.64 kJ/mol; (21)Boiling Point: 351.7 °C at 760 mmHg; (22)Vapour Pressure: 4.04E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCc1ccccc1)N2CC[C@@H](N)C2
2. InChI:InChI=1/C12H16N2O2/c13-11-6-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2/t11-/m1/s1
3. InChIKey:FPXJNSKAXZNWMQ-LLVKDONJBG