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| CAS No.: | 98071-16-0 |
|---|---|
| Name: | 1-Amino-1-cyclobutanecarboxylic acid hydrochloride |
| Molecular Structure: | |
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| Formula: | C5H10ClNO2 |
| Molecular Weight: | 151.59 |
| Synonyms: | 1-Aminocyclobutanecarboxylicacidhydrochloride; |
| Melting Point: | 226 °C |
| Boiling Point: | 273.2 °C at 760 mmHg |
| Flash Point: | 119 °C |
| Solubility: | Soluble in water |
| PSA: | 63.32000 |
| LogP: | 1.45470 |
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Specification
The Cyclobutanecarboxylic acid, 1-amino-, hydrochloride is an organic compound with the formula C5H10ClNO2. The systematic name of this chemical is 1-aminocyclobutanecarboxylic acid hydrochloride (1:1). With the CAS registry number 98071-16-0, it is also named as acide 1-aminocyclobutanecarboxylique chlorhydrate (1:1). The product's categories are Cyclobutanes & Cyclobutenes; Simple 4-Membered Ring Compounds.
The other characteristics of Cyclobutanecarboxylic acid, 1-amino-, hydrochloride can be summarized as: (1)# of Rule of 5 Violations: 0; (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: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 29.54 Å2; (10)Melting Point: 226 °C; (11)Flash Point: 119 °C; (12)Enthalpy of Vaporization: 56.3 kJ/mol; (13)Boiling Point: 273.2 °C at 760 mmHg; (14)Vapour Pressure: 0.00161 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Cl.O=C(O)C1(N)CCC1
2. InChI:InChI=1/C5H9NO2.ClH/c6-5(4(7)8)2-1-3-5;/h1-3,6H2,(H,7,8);1H
3. InChIKey:HBTVGNDTGRUBQO-UHFFFAOYAA
4. Std. InChI:InChI=1S/C5H9NO2.ClH/c6-5(4(7)8)2-1-3-5;/h1-3,6H2,(H,7,8);1H
5. Std. InChIKey:HBTVGNDTGRUBQO-UHFFFAOYSA-N