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| CAS No.: | 913614-65-0 |
|---|---|
| Name: | (S)-2-N-CBZ-AMINOMETHYL-PYRROLIDINE |
| Molecular Structure: | |
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| Formula: | C13H18N2O2 |
| Molecular Weight: | 234.298 |
| Synonyms: | Benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;(S)-Pyrrolidin-2-ylmethyl-carbamic acid benzyl ester; |
| Density: | 1.106 g/cm3 |
| Boiling Point: | 395.3 °C at 760 mmHg |
| Flash Point: | 192.9 °C |
| PSA: | 50.36000 |
| LogP: | 2.38450 |
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- Total:20 Page 1 of 1 1
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Specification
The Carbamic acid, N-[(2S)-2-pyrrolidinylmethyl]-, phenylmethyl ester, with the CAS registry number 913614-65-0, is also known as (S)-Pyrrolidin-2-ylmethyl-carbamic acid benzyl ester. This chemical's molecular formula is C13H18N2O2 and molecular weight is 234.29. What's more, its systematic name is benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate.
Physical properties of Carbamic acid, N-[(2S)-2-pyrrolidinylmethyl]-, phenylmethyl ester are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 50.36 Å2; (7)Index of Refraction: 1.531; (8)Molar Refractivity: 65.61 cm3; (9)Molar Volume: 211.8 cm3; (10)Polarizability: 26.01×10-24cm3; (11)Surface Tension: 42.7 dyne/cm; (12)Density: 1.106 g/cm3; (13)Flash Point: 192.9 °C; (14)Enthalpy of Vaporization: 64.55 kJ/mol; (15)Boiling Point: 395.3 °C at 760 mmHg; (16)Vapour Pressure: 1.85E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC[C@@H]1CCCN1)OCc2ccccc2
(2)Std. InChI: InChI=1S/C13H18N2O2/c16-13(15-9-12-7-4-8-14-12)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,15,16)/t12-/m0/s1
(3)Std. InChIKey: UHPHWVPAQZJMDO-LBPRGKRZSA-N