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| CAS No.: | 332064-87-6 |
|---|---|
| Name: | (R)-3-Amino-5-hexynoic acid hydrochloride |
| Molecular Structure: | |
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| Formula: | C6H10ClNO2 |
| Molecular Weight: | 163.6 |
| Synonyms: | 5-Hexynoicacid, 3-amino-, hydrochloride, (3R)- (9CI);(3R)-3-Aminohex-5-ynoic acid hydrochloride;(R)-3-Amino-5-hexynoic acid-HCl; |
| Melting Point: | 139-141℃ |
| Boiling Point: | 298.5 °C at 760 mmHg |
| Flash Point: | 134.3 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/38 |
| Safety: | 26 |
| PSA: | 63.32000 |
| LogP: | 1.31400 |
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Specification
The 5-Hexynoic acid,3-amino-, hydrochloride (1:1), (3R)-, with the CAS registry number 332064-87-6, is also known as (R)-3-Amino-5-hexynoic acid-HCl. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C6H10ClNO2 and molecular weight is 163.6. What's more, its systematic name is (3R)-3-aminohex-5-ynoic acid hydrochloride.
Physical properties of 5-Hexynoic acid,3-amino-, hydrochloride (1:1), (3R)- are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 63.32 Å2; (6)Flash Point: 134.3 °C; (7)Enthalpy of Vaporization: 59.23 kJ/mol; (8)Boiling Point: 298.5 °C at 760 mmHg; (9)Vapour Pressure: 0.000301 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C#CC[C@@H](N)CC(O)=O.Cl
(2)InChI: InChI=1S/C6H9NO2.ClH/c1-2-3-5(7)4-6(8)9;/h1,5H,3-4,7H2,(H,8,9);1H/t5-;/m1./s1
(3)InChIKey: FVKOZZHCHSRKJA-NUBCRITNSA-N