Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 1-aminocycloheptanecarboxylate hydrochloride |
EINECS | N/A |
CAS No. | 183429-63-2 | Density | 1.02 g/cm3 |
PSA | 52.32000 | LogP | 1.91140 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H17NO2 | Boiling Point | 231.9 °C at 760 mmHg |
Molecular Weight | 171.239 | Flash Point | 98.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 1-aminocycloheptanecarboxylate hydrochloride; |
Article Data | 3 |
The CAS register number of Methyl 1-aminocycloheptanecarboxylate hydrochloride is 183429-63-2. It also can be called as Cycloheptanecarboxylicacid, 1-amino-, methyl ester and the IUPAC name about this chemical is methyl 1-aminocycloheptanecarboxylate. The molecular formula about this chemical is C9H17NO2 and molecular weight is 171.24. It belongs to the Pharmacetical.
Physical properties about Methyl 1-aminocycloheptanecarboxylate hydrochloride are: (1)ACD/LogP: 1.54; (2)ACD/LogD (pH 5.5): -0.63; (3)ACD/LogD (pH 7.4): 1.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.84; (6)ACD/KOC (pH 5.5): 1.12; (7)ACD/KOC (pH 7.4): 53.55; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54Å2; (12)Index of Refraction: 1.468; (13)Molar Refractivity: 46.69 cm3; (14)Molar Volume: 167.8 cm3; (15)Polarizability: 18.5x10-24cm3; (16)Surface Tension: 36.4 dyne/cm; (17)Enthalpy of Vaporization: 46.86 kJ/mol; (18)Boiling Point: 231.9 °C at 760 mmHg; (19)Vapour Pressure: 0.0607 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C1(N)CCCCCC1
(2)InChI: InChI=1/C9H17NO2/c1-12-8(11)9(10)6-4-2-3-5-7-9/h2-7,10H2,1H3
(3)InChIKey: GPZHQNYVDQMZDP-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H17NO2/c1-12-8(11)9(10)6-4-2-3-5-7-9/h2-7,10H2,1H3
(5)Std. InChIKey: GPZHQNYVDQMZDP-UHFFFAOYSA-N