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| CAS No.: | 53912-85-9 |
|---|---|
| Name: | L-beta-Homoproline hydrochloride |
| Molecular Structure: | |
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|
|
| Formula: | C6H11NO2.HCl |
| Molecular Weight: | 165.62 |
| Synonyms: | 2-Pyrrolidineaceticacid, hydrochloride, (2S)- (9CI);2-Pyrrolidineacetic acid, hydrochloride,(S)-;(S)-Pyrrolidine-2-acetic acid hydrochloride;S-Homoproline hydrochloride; |
| Melting Point: | 208-210 °C |
| Boiling Point: | 272.3 °C at 760mmHg |
| Flash Point: | 118.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 49.33000 |
| LogP: | 1.34390 |
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Specification
The IUPAC name of L-beta-Homoproline hydrochloride is 2-[(2S)-pyrrolidin-2-yl]acetic acid hydrochloride. With the CAS registry number 53912-85-9, it is also named as (2S)-2-(carboxymethyl)pyrrolidinium chloride. The product's categorie is β-homo amino acid. Additionally, it must be sealed in the container and stored in the cool and sry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.75; (4)ACD/LogD (pH 7.4): -2.74; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 118.5 °C; (13)Enthalpy of Vaporization: 56.2 kJ/mol; (14)Boiling Point: 272.3 °C at 760 mmHg; (15)Vapour Pressure: 0.0017 mmHg at 25°C; (16)Rotatable Bond Count: 2; (17)Exact Mass: 165.055656; (18)MonoIsotopic Mass: 165.055656; (19)Topological Polar Surface Area: 49.3; (20)Heavy Atom Count: 10; (21)Complexity: 114.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)C[C@H]1NCCC1.Cl
2. InChI:InChI=1/C6H11NO2.ClH/c8-6(9)4-5-2-1-3-7-5;/h5,7H,1-4H2,(H,8,9);1H/t5-;/m0./s1