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679796-43-1

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Basic Information
CAS No.: 679796-43-1
Name: (S)-ALPHA-(2-NAPHTHALENYLMETHYL)-PROLINE-HCL
Molecular Structure:
Molecular Structure of 679796-43-1 ((S)-ALPHA-(2-NAPHTHALENYLMETHYL)-PROLINE-HCL)
Formula: C16H18ClNO2
Molecular Weight: 291.77
Synonyms: (S)-Alpha-(2-naphthalenylmethyl)-proline-HCl;(S)-a-(2-Naphthalenylmethyl)proline·HCl;(S)-a-(2-Naphthalenylmethyl)-prolineCl;
Boiling Point: 456.8 °C at 760 mmHg
Flash Point: 230.1 °C
PSA: 49.33000
LogP: 3.71990
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Specification

The CAS register number of D-Proline,2-(2-naphthalenylmethyl)- is 679796-43-1. It also can be called as (S)-Alpha-(2-naphthalenylmethyl)-proline-HCl and the systematic name about this chemical is 2-(naphthalen-2-ylmethyl)-D-proline hydrochloride. The molecular formula about this chemical is C16H18ClNO2 and the molecular weight is 291.77.

Physical properties about D-Proline,2-(2-naphthalenylmethyl)- are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 0.4; (3)ACD/LogD (pH 7.4): 0.4; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.84; (7)ACD/KOC (pH 7.4): 2.84; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å2; (12)Flash Point: 230.1 °C; (13)Enthalpy of Vaporization: 75.53 kJ/mol; (14)Boiling Point: 456.8 °C at 760 mmHg; (15)Vapour Pressure: 3.89E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@]1(NCCC1)Cc3cc2ccccc2cc3.Cl
(2)InChI: InChI=1/C16H17NO2.ClH/c18-15(19)16(8-3-9-17-16)11-12-6-7-13-4-1-2-5-14(13)10-12;/h1-2,4-7,10,17H,3,8-9,11H2,(H,18,19);1H/t16-;/m0./s1
(3)InChIKey: ADHGINNJMRTZOI-NTISSMGPBX
(4)Std. InChI: InChI=1S/C16H17NO2.ClH/c18-15(19)16(8-3-9-17-16)11-12-6-7-13-4-1-2-5-14(13)10-12;/h1-2,4-7,10,17H,3,8-9,11H2,(H,18,19);1H/t16-;/m0./s1
(5)Std. InChIKey: ADHGINNJMRTZOI-NTISSMGPSA-N