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| CAS No.: | 61884-74-0 |
|---|---|
| Name: | L-beta-Homoglutamic acid hydrochloride |
| Molecular Structure: | |
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| Formula: | C6H11NO4.HCl |
| Molecular Weight: | 197.62 |
| Synonyms: | H-β-homo-Glu-OH.HCl;H-β-HoGlu-OH·HCl;(3S)-3-aminohexanedioic acid hydrochloride; |
| Boiling Point: | 375.5 °C at 760 mmHg |
| Flash Point: | 180.9 °C |
| Safety: | 22-24/25 |
| PSA: | 100.62000 |
| LogP: | 1.15550 |
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Specification
The Hexanedioic acid,3-amino-, hydrochloride, (S)- (9Cl), with the CAS registry number 61884-74-0, has the systematic name of (3S)-3-aminohexanedioic acid hydrochloride. It belongs to the following product categories: β-Homo Amino Acids; Beta amino acids; Unusual Amino Acids; Amino Acid Derivatives. And the molecular formula of the chemical is C6H11NO4.HCl. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of Hexanedioic acid,3-amino-, hydrochloride, (S)- (9Cl) are as followings: (1)ACD/LogP: -0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.92; (4)ACD/LogD (pH 7.4): -4.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å2 ; (13)Flash Point: 180.9 °C; (14)Enthalpy of Vaporization: 68.41 kJ/mol; (15)Boiling Point: 375.5 °C at 760 mmHg; (16)Vapour Pressure: 1.13E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.O=C(O)CC[C@H](N)CC(=O)O
(2)InChI: InChI=1/C6H11NO4.ClH/c7-4(3-6(10)11)1-2-5(8)9;/h4H,1-3,7H2,(H,8,9)(H,10,11);1H/t4-;/m0./s1
(3)InChIKey: XMUKSNPNAOIQKU-WCCKRBBIBX