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CAS No.: | 268734-28-7 |
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Name: | (R)-3-AMINO-4-(2-CHLOROPHENYL)BUTANOIC ACID HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C10H12ClNO2.HCl |
Molecular Weight: | 250.12 |
Synonyms: | (R)-3-Amino-4-(2-chlorophenyl)butyric acid hydrochloride |
Density: | 1.287±0.06 g/cm3(Predicted) |
Boiling Point: | 388.4 °C at 760 mmHg |
Flash Point: | 188.7 °C |
PSA: | 63.32000 |
LogP: | 3.18680 |
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This chemical is called (R)-3-Amino-4-(2-chlorophenyl)butyric acid hydrochloride, and its IUPAC name is (3R)-3-amino-4-(2-chlorophenyl)butanoic acid hydrochloride. With the molecular formula of C10H12ClNO2.HCl, its molecular weight is 250.12. The CAS registry number of this chemical is 268734-28-7, and its product categories are 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino.
Other characteristics of the (R)-3-Amino-4-(2-chlorophenyl)butyric acid hydrochloride can be summarised as followings: (1)ACD/LogP: 1.93; (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: 63.32 Å2; (7)Flash Point: 188.7 °C; (8)Enthalpy of Vaporization: 67.25 kJ/mol; (9)Boiling Point: 388.4 °C at 760 mmHg; (10)Vapour Pressure: 9.95E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.Clc1ccccc1C[C@@H](N)CC(O)=O
2.InChI: InChI=1/C10H12ClNO2.ClH/c11-9-4-2-1-3-7(9)5-8(12)6-10(13)14;/h1-4,8H,5-6,12H2,(H,13,14);1H/t8-;/m1./s1
3.InChIKey: POAZZXSNVUMPBP-DDWIOCJRBZ