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637020-99-6

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Basic Information
CAS No.: 637020-99-6
Name: (S)-ALPHA-(1-NAPHTHALENYLMETHYL)-PROLINE-HCL
Molecular Structure:
Molecular Structure of 637020-99-6 ((S)-ALPHA-(1-NAPHTHALENYLMETHYL)-PROLINE-HCL)
Formula: C16H18ClNO2
Molecular Weight: 291.77
Synonyms: (S)-Alpha-(1-naphthalenylmethyl)-proline-HCl;(S)-a-(1-Naphthalenylmethyl)proline·HCl;(S)-a-(1-Naphthalenylmethyl)-prolineCl;
Boiling Point: 480.2 °C at 760 mmHg
Flash Point: 244.2 °C
PSA: 49.33000
LogP: 3.71990
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Specification

The CAS register number of D-Proline,2-(1-naphthalenylmethyl)- is 637020-99-6. It also can be called as (S)-Alpha-(1-naphthalenylmethyl)-proline-HCl and the systematic name about this chemical is (2S)-2-(1-naphthylmethyl)pyrrolidine-2-carboxylic acid hydrochloride. The molecular formula about this chemical is C16H18ClNO2 and the molecular weight is 291.77.

Physical properties about D-Proline,2-(1-naphthalenylmethyl)- are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 0.4; (3)ACD/LogD (pH 7.4): 0.4; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 49.33 Å2; (8)Flash Point: 244.2 °C; (9)Enthalpy of Vaporization: 78.44 kJ/mol; (10)Boiling Point: 480.2 °C at 760 mmHg; (11)Vapour Pressure: 4.96E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.OC(=O)[C@@]3(Cc1cccc2ccccc12)CCCN3
(2)InChI: InChI=1/C16H17NO2.ClH/c18-15(19)16(9-4-10-17-16)11-13-7-3-6-12-5-1-2-8-14(12)13;/h1-3,5-8,17H,4,9-11H2,(H,18,19);1H/t16-;/m0./s1
(3)InChIKey: GRQIHOFBGXIZHC-NTISSMGPBA
(4)Std. InChI: InChI=1S/C16H17NO2.ClH/c18-15(19)16(9-4-10-17-16)11-13-7-3-6-12-5-1-2-8-14(12)13;/h1-3,5-8,17H,4,9-11H2,(H,18,19);1H/t16-;/m0./s1
(5)Std. InChIKey: GRQIHOFBGXIZHC-NTISSMGPSA-N