Basic information
- Name:
L-Norvaline, ethylester, hydrochloride (1:1)
- Superlist Name:
- L-Norvaline ethyl ester hydrochloride
- CAS No.:
40918-51-2
- Molecular Structure:
- Formula:
- C7H15NO2.HCl
- Molecular Weight:
- 181.66
- Synonyms:
- L-Norvaline,ethyl ester, hydrochloride (9CI);
- Melting Point:
- 104-106°C
- Boiling Point:
- 175.4 °C at 760 mmHg
- Flash Point:
- 48.4 °C
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Specification
The L-Norvaline ethyl ester hydrochloride is an organic compound with the formula C7H15NO2.HCl. The systematic name of this chemical is (2S)-1-ethoxy-1-oxopentan-2-aminium chloride. With the CAS registry number 40918-51-2, it is also named as Ethyl L-norvalinate hydrochloride (1:1). The product's categories are Norvaline [Nva]; Pharmaceutical Intermediates; Organic Materials; Intermediates. Additioanlly, this chemical should be stored at the temperature of 0-5°C.
The other characteristics of L-Norvaline ethyl ester hydrochloride can be summarized as: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.36; (4)ACD/LogD (pH 7.4): 0.35; (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): 16.56; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (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.
People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].O=C(OCC)[C@H](CCC)[NH3+]
2. InChI:InChI=1/C7H15NO2.ClH/c1-3-5-6(8)7(9)10-4-2;/h6H,3-5,8H2,1-2H3;1H/t6-;/m0./s1
3. InChIKey:CHAJBHNQIZAJJM-RGMNGODLBQ
4. Std. InChI:InChI=1S/C7H15NO2.ClH/c1-3-5-6(8)7(9)10-4-2;/h6H,3-5,8H2,1-2H3;1H/t6-;/m0./s1
5. Std. InChIKey:CHAJBHNQIZAJJM-RGMNGODLSA-N