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CAS No.: | 76508-73-1 |
---|---|
Name: | 4-AMINO-PIPERIDINE-4-CARBOXYLIC ACID 2 HCL |
Molecular Structure: | |
Formula: | C6H14Cl2N2O2 |
Molecular Weight: | 217.09 |
Synonyms: | 4-Piperidinecarboxylicacid, 4-amino-, dihydrochloride (9CI);4-Amino-4-carboxypiperidine dihydrochloride; |
Boiling Point: | 345.2 °C at 760 mmHg |
Flash Point: | 162.6 °C |
PSA: | 75.35000 |
LogP: | 1.78500 |
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The CAS registry number of 4-Piperidinecarboxylicacid,4-amino-,hydrochloride (1:2) is 76508-73-1. The IUPAC name is 4-aminopiperidine-4-carboxylic acid dihydrochloride. In addition, the molecular formula is C6H14Cl2N2O2 and the molecular weight is 217.09. The storage temperature of this chemical is 2-8 °C.
Physical properties about 4-Piperidinecarboxylicacid,4-amino-,hydrochloride (1:2) are: (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: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 75.35 Å2; (10)Flash Point: 162.6 °C; (11)Enthalpy of Vaporization: 64.75 kJ/mol; (12)Boiling Point: 345.2 °C at 760 mmHg; (13)Vapour Pressure: 1.11E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.O=C(O)C1(N)CCNCC1
(2)InChI: InChI=1/C6H12N2O2.2ClH/c7-6(5(9)10)1-3-8-4-2-6;;/h8H,1-4,7H2,(H,9,10);2*1H
(3)InChIKey: QAZLRRMYUONDHH-UHFFFAOYAB