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Name |
Cycloheptanecarboxylicacid, 1-amino- |
EINECS | N/A |
CAS No. | 6949-77-5 | Density | 1.103 g/cm3 |
PSA | 63.32000 | LogP | 1.82300 |
Solubility | N/A | Melting Point |
320 °C (decomp)(Solv: water (7732-18-5)) |
Formula | C8H15NO2 | Boiling Point | 288.9 °C at 760 mmHg |
Molecular Weight | 157.213 | Flash Point | 128.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Aminocycloheptane-1-carboxylicacid;1-Aminocycloheptanecarboxylic acid;NSC 22849; |
Article Data | 13 |
The Cycloheptanecarboxylicacid, 1-amino-, with the CAS registry number 6949-77-5, is also known as 1-Amino-cycloheptanecarboxylicaci. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C8H15NO2 and molecular weight is 157.21. What's more, both its IUPAC name and systematic name are the same which is called 1-Aminocycloheptane-1-carboxylic acid.
Physical properties about this chemical are: (1)ACD/LogP: 1.07; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -1.43; (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: 3; (11)#Freely Rotating Bonds: 2; (12) Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 41.84 cm3; (15)Molar Volume: 142.4 cm3; (16)Polarizability: 16.58×10-24cm3; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.103 g/cm3; (19)Flash Point: 128.5 °C; (20)Enthalpy of Vaporization: 58.11 kJ/mol; (21)Boiling Point: 288.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000573 mmHg at 25 °C.
Preparation of Cycloheptanecarboxylicacid, 1-amino-:this chemical can be prepared with 1,3-Diaza-spiro[4.6]undecane-2,4-dione.
This reaction needs reagent Ba(OH)2·8H2O and solvent H2O.
Uses of Cycloheptanecarboxylicacid, 1-amino-: it can react with Methanol to give Methyl -aminocycloheptanecarboxylate hydrochloride.
The reaction occurs with reagent HCl (gas) and condition of heating for 4 hours. The yield is 83 %.
You can still convert the following datas into molecular structure:
(1) SMILES: InChI=1/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)
(2) InChI: IINRZEIPFQHEAP-UHFFFAOYAA
(3) InChIKey: InChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD | intraperitoneal | > 500mg/kg (500mg/kg) | Biochemical Pharmacology. Vol. 5, Pg. 108, 1960. Link to PubMed |