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| CAS No.: | 77300-48-2 |
|---|---|
| Name: | DL-NORLEUCINE METHYL ESTER HYDROCHLORIDE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C7H16ClNO2 |
| Molecular Weight: | 181.663 |
| Synonyms: | DL-Norleucine,methyl ester, hydrochloride;Norleucine, methyl ester, hydrochloride (9CI);Methyl 2-aminohexanoate hydrochloride;DL-Norleucine methyl ester hydrochloride;methyl 2-aminohexanoate hydrochloride; |
| Melting Point: | 117-119℃ (methanol water ) |
| Boiling Point: | 175.4 °C at 760 mmHg |
| Flash Point: | 48.4 °C |
| PSA: | 52.32000 |
| LogP: | 2.17920 |
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- Total:19 Page 1 of 1 1
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Specification
The Norleucine, methylester, hydrochloride (1:1), with the CAS registry number 77300-48-2, has the systematic name of methyl norleucinate hydrochloride. It belongs to the following product categories: Amino Acids; I - Z; Modified Amino Acids. And the molecular formula of the chemical is C7H16ClNO2. What's more, it should be stored at 2-8°C.
The characteristics of Norleucine, methylester, hydrochloride (1:1) are as followings: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 22; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 ?2; (13)Flash Point: 48.4 °C; (14)Enthalpy of Vaporization: 41.17 kJ/mol; (15)Boiling Point: 175.4 °C at 760 mmHg; (16)Vapour Pressure: 1.15 mmHg at 25°C.
Uses of Norleucine, methylester, hydrochloride (1:1): It can react with 4-chloro-benzaldehyde to produce N-(4-chlorobenzylidene)-(RS)-norleucine methyl ester. This reaction will need reagent Et3N and MgSO4, and the menstruum CH2Cl2. The reaction time is 72 hours, and the yield is about 93%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.NC(CCCC)C(=O)OC
(2)InChI: InChI=1/C7H15NO2.ClH/c1-3-4-5-6(8)7(9)10-2;/h6H,3-5,8H2,1-2H3;1H
(3)InChIKey: FMMOVZRXLNVNBI-UHFFFAOYAN