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CAS No.: | 625120-81-2 |
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Name: | 3-(N-Methylpentylamino)propionic acid hydrochloride |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H20ClNO2 |
Molecular Weight: | 209.716 |
Synonyms: | b-Alanine, N-methyl-N-pentyl-, hydrochloride (9CI);N-Methyl-N-pentyl-b-alanine hydrochloride;3-(N-methylpentylamino) propionic acid HCL;3-(N-Methylpentylamino)propionic acid hydrochloride; |
EINECS: | 613-046-7 |
Melting Point: | 101-103°C |
Boiling Point: | 299.2 °C at 760 mmHg |
Flash Point: | 134.7 °C |
PSA: | 40.54000 |
LogP: | 2.38510 |
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3-(N-Methylpentylamino)propionic acid hydrochloride, its cas register number 625120-81-2. It also can be called 3-(N-methylpentylamino)propionic acid; 3-(N-Methylpentylamino)propionic acid hydrochloride; Ibandronate Intermediate; 3-(N-Methyl-N-pentylaMino)propionic Acid Hydrochloride; Ibandronate Related Compound A (25 mg) (3-[Methyl(pentyl)amino]propanoic acid hydrochloride); 3-(Methyl(pentyl)aMino)propanoic acid hydrochloride. It belongs to the Product Categories of Organic acids; (intermediate of diphosphonate); Intermediate of ibandronate sodium.
Physical properties about 3-(N-Methylpentylamino)propionic acid hydrochloride are: (1)ACD/LogP: 1.849; (2)#H bond acceptors:3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 7; (5)Flash Point: 143.8 °C; (6)Enthalpy of Vaporization: 61.07 kJ/mol; (7)Boiling Point: 314.2 °C at 760 mmHg; (8)Vapour Pressure: 0.000102 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES:CCCCC(C)NCCC(=O)O.Cl;
(2)Std. InChI:InChI=1S/C9H19NO2.ClH/c1-3-4-5-8(2)10-7-6-9(11)12;/h8,10H,3-7H2,1-2H3,(H,11,12);1H;
(3)Std. InChIKey:CRQIFXPLKWVFQJ-UHFFFAOYSA-N