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| CAS No.: | 192003-02-4 |
|---|---|
| Name: | L-BETA-HOMOLYSINE-2HCL |
| Molecular Structure: | |
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| Formula: | C7H18Cl2N2O2 |
| Molecular Weight: | 233.14 |
| Synonyms: | Heptanoicacid, 3,7-diamino-, monohydrochloride, (S)- (9CI); |
| Boiling Point: | 386.9 °C at 760 mmHg |
| Flash Point: | 187.8 °C |
| Safety: | 22-24/25 |
| PSA: | 89.34000 |
| LogP: | 2.12000 |
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Specification
The Heptanoic acid, 3, 7-diamino-, hydrochloride (1:1), (3S)-, with the CAS registry number 192003-02-4, is also known as L-β-Homolysine dihydrochloride. It belongs to the product category of β-Homo Amino Acids. This chemical's molecular formula is C7H18Cl2N2O2 and molecular weight is 233.14. What's more, its IUPAC name is (3S)-3, 7-Diaminoheptanoic acid dihydrochloride. In addition, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.
Physical properties about Heptanoic acid, 3, 7-diamino-, hydrochloride (1:1), (3S)- are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 5; (8)#Freely Rotating Bonds: 8; (9)Polar Surface Area: 89.34 Å2; (10)Flash Point: 187.8 °C; (11)Enthalpy of Vaporization: 69.81 kJ/mol; (12)Boiling Point: 386.9 °C at 760 mmHg; (13)Vapour Pressure: 4.63E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N[C@@H](CCCCN)CC(O)=O.Cl.Cl
(2) InChI: InChI=1/C7H16N2O2.2ClH/c8-4-2-1-3-6(9)5-7(10)11;;/h6H,1-5,8-9H2,(H,10,11);2*1H/t6-;;/m0../s1
(3) InChIKey: APJAFTBCSGCCAH-ILKKLZGPBK