-
Name
BOC-(S)-ALPHA-(1-NAPHTHALENYLMETHYL)-PROLINE
- EINECS
- CAS No. 706806-81-7
- Density 1.225 g/cm3
- Solubility
- Melting Point
- Formula C21H25NO4
- Boiling Point 524.1 °C at 760 mmHg
- Molecular Weight 355.43
- Flash Point 270.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms BOC-(S)-ALPHA-(1-NAPHTHALENYLMETHYL)-PROLINE;Boc-(S)-a-(1-Naphthalenylmethyl)-proline
- PSA 66.84000
- LogP 4.17450
1,2-Pyrrolidinedicarboxylic acid, 2-(1-naphthalenylmethyl)-, 1-(1,1-dimethylethyl) ester, (2S)- Specification
This chemical is called 1,2-Pyrrolidinedicarboxylic acid, 2-(1-naphthalenylmethyl)-, 1-(1,1-dimethylethyl) ester, (2S)-, and its systematic name is 1-(tert-butoxycarbonyl)-2-(naphthalen-1-ylmethyl)-D-proline. With the molecular formula of C21H25NO4, its molecular weight is 355.43. The CAS registry number of this chemical is 706806-81-7. Additionally, its product category is Alpha-Substituted Proline Analogs.
Other characteristics of the 1,2-Pyrrolidinedicarboxylic acid, 2-(1-naphthalenylmethyl)-, 1-(1,1-dimethylethyl) ester, (2S)- can be summarised as followings: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 55.84 Å2; (7)Index of Refraction: 1.604; (8)Molar Refractivity: 99.84 cm3; (9)Molar Volume: 290 cm3; (10)Polarizability: 39.58×10-24cm3; (11)Surface Tension: 54 dyne/cm; (12)Density: 1.225 g/cm3; (13)Flash Point: 270.8 °C; (14)Enthalpy of Vaporization: 83.99 kJ/mol; (15)Boiling Point: 524.1 °C at 760 mmHg; (16)Vapour Pressure: 8.23E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)N1[C@@](C(=O)O)(CCC1)Cc3c2ccccc2ccc3
2.InChI: InChI=1/C21H25NO4/c1-20(2,3)26-19(25)22-13-7-12-21(22,18(23)24)14-16-10-6-9-15-8-4-5-11-17(15)16/h4-6,8-11H,7,12-14H2,1-3H3,(H,23,24)/t21-/m0/s1
3.InChIKey: BWZACKVIUSVDGM-NRFANRHFBW
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