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| CAS No.: | 73415-84-6 |
|---|---|
| Name: | PIPERIDIN-4-YLACETIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H13NO2.ClH |
| Molecular Weight: | 179.647 |
| Synonyms: | 4-Piperidineaceticacid, hydrochloride (6CI,9CI);4-Carboxymethylpiperidinehydrochloride;(Piperidin-4-yl)acetic acid hydrochloride;2-(4-Piperidyl)acetic acid hydrochloride; |
| Melting Point: | 158-159 °C |
| PSA: | 49.33000 |
| LogP: | 0.78950 |
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Specification
The 4-Piperidineacetic acid, hydrochloride (1:1) is an organic compound with the formula C7H14ClNO2. The IUPAC name of this chemical is 2-piperidin-1-ium-4-ylacetic acid chloride. With the CAS registry number 73415-84-6, it is also named as Piperidin-4-ylacetic acid hydrochloride (1:1). In addition, the molecular weight is 179.64.
The other characteristics of 4-Piperidineacetic acid, hydrochloride (1:1) can be summarized as: (1)#H bond acceptors: 3; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 53.91 Å2; (5)Rotatable Bond Count: 2; (6)Exact Mass: 179.071306; (7)MonoIsotopic Mass: 179.071306; (8)Topological Polar Surface Area: 53.9; (9)Heavy Atom Count: 11; (10)Formal Charge: 0; (11)Complexity: 119; (12)Covalently-Bonded Unit Count: 2.
People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].O=C(O)CC1CC[NH2+]CC1
2. InChI:InChI=1/C7H13NO2.ClH/c9-7(10)5-6-1-3-8-4-2-6;/h6,8H,1-5H2,(H,9,10);1H
3. InChIKey:IYDUFJOXYMLYNM-UHFFFAOYAF
4. Std. InChI:InChI=1S/C7H13NO2.ClH/c9-7(10)5-6-1-3-8-4-2-6;/h6,8H,1-5H2,(H,9,10);1H
5. Std. InChIKey:IYDUFJOXYMLYNM-UHFFFAOYSA-N