Boc-(R)-α-(1-naphthalenylmethyl)-proline supplier

Name
BOC-(R)-ALPHA-(1-NAPHTHALENYLMETHYL)-PROLINE
EINECS
CAS No. 706806-79-3
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
Molecular Structure
Hazard Symbols
Synonyms BOC-(R)-ALPHA-(1-NAPHTHALENYLMETHYL)-PROLINE;Boc-(R)-a-(1-Naphthalenylmethyl)-proline
PSA 66.84000
LogP 4.17450

Boc-(R)-α-(1-naphthalenylmethyl)-proline Specification

This chemical is called Boc-(R)-α-(1-naphthalenylmethyl)-proline, and its systematic name is 1-(tert-butoxycarbonyl)-2-(naphthalen-1-ylmethyl)-L-proline. With the molecular formula of C₂₁H₂₅NO₄, its molecular weight is 355.43. The CAS registry number of this chemical is 706806-79-3. Additionally, its product category is Alpha-Substituted Proline Analogs.

Other characteristics of the Boc-(R)-α-(1-naphthalenylmethyl)-proline can be summarised as followings: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 32.11; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 175.42; (8)ACD/KOC (pH 7.4): 2.96; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 99.84 cm³; (15)Molar Volume: 290 cm³; (16)Polarizability: 39.58×10^-24cm³; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.225 g/cm³; (19)Flash Point: 270.8 °C; (20)Enthalpy of Vaporization: 83.99 kJ/mol; (21)Boiling Point: 524.1 °C at 760 mmHg; (22)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-/m1/s1
3.InChIKey: BWZACKVIUSVDGM-OAQYLSRUBJ

Product Name

BOC-(R)-ALPHA-(1-NAPHTHALENYLMETHYL)-PROLINE

Boc-(R)-α-(1-naphthalenylmethyl)-proline Specification

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