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| CAS No.: | 105382-09-0 |
|---|---|
| Name: | L-Homophenylalanine hydrochloride |
| Molecular Structure: | |
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| Formula: | C10H13NO2.HCl |
| Molecular Weight: | 215.68 |
| Synonyms: | Benzenebutanoicacid, a-amino-, hydrochloride, (S)-;Benzenebutanoic acid, a-amino-, hydrochloride, (aS)- (9CI); |
| Melting Point: | 262-265 °C (dec.)(lit.) |
| Boiling Point: | 324.8 °C at 760 mmHg |
| Flash Point: | 150.2 °C |
| PSA: | 63.32000 |
| LogP: | 2.53340 |
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Specification
The Benzenebutanoic acid, α-amino-, hydrochloride (1:1), (αS)- is an organic compound with the formula C10H13NO2.HCl. The systematic name of this chemical is (1S)-1-carboxy-3-phenylpropan-1-aminium chloride. With the CAS registry number 105382-09-0, it is also named as L-Homophenylalanine hydrochloride. The product's category is Amino Hydrochloride. In addition, this chemical can be used as pharmaceutical intermediate.
The other characteristics of Benzenebutanoic acid, α-amino-, hydrochloride (1:1), (αS)- can be summarized as: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 26.3 Å2; (7)Flash Point: 150.2 °C; (8)Enthalpy of Vaporization: 59.84 kJ/mol; (9)Boiling Point: 324.8 °C at 760 mmHg; (10)Vapour Pressure: 9.79E-05 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].O=C(O)[C@H](CCc1ccccc1)[NH3+]
2. InChI:InChI=1/C10H13NO2.ClH/c11-9(10(12)13)7-6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H/t9-;/m0./s1
3. InChIKey:CHBMONIBOQCTCF-FVGYRXGTBP
4. Std. InChI:InChI=1S/C10H13NO2.ClH/c11-9(10(12)13)7-6-8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H/t9-;/m0./s1
5. Std. InChIKey:CHBMONIBOQCTCF-FVGYRXGTSA-N