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CAS No.: | 5511-18-2 |
---|---|
Name: | 1-Adamantanecarboxamide |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H17NO |
Molecular Weight: | 179.262 |
Synonyms: | Tricyclo[3.3.1.13,7]decane-1-carboxamide; |
EINECS: | 234-074-2 |
Density: | 1.174 g/cm3 |
Melting Point: | 188-190 °C(lit.) |
Boiling Point: | 343.3 °C at 760 mmHg |
Flash Point: | 161.4 °C |
Appearance: | white solid |
Safety: | 24/25 |
PSA: | 43.09000 |
LogP: | 2.38840 |
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Molecule structure of 1-Adamantanecarboxamide (CAS NO.5511-18-2):
IUPAC Name: Adamantane-1-carboxamide
Molecular Weight: 179.25878 g/mol
Molecular Formula: C11H17NO
Density: 1.174 g/cm3
Melting Point: 188-190 °C(lit.)
Boiling Point: 343.3 °C at 760 mmHg
Flash Point: 161.4 °C
Index of Refraction: 1.572
Molar Refractivity: 50.23 cm3
Molar Volume: 152.6 cm3
Surface Tension: 50.6 dyne/cm
Enthalpy of Vaporization: 58.72 kJ/mol
Vapour Pressure: 7.09E-05 mmHg at 25 °C
XLogP3: 2
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 179.131014
MonoIsotopic Mass: 179.131014
Topological Polar Surface Area: 43.1
Heavy Atom Count: 13
Canonical SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)N
InChI: InChI=1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)
InChIKey: CKBZJTAMRPPVSR-UHFFFAOYSA-N
EINECS: 234-074-2
Product Categories: Adamantane derivatives; Adamantanes; Intermediates & Fine Chemicals; Pharmaceuticals; Amides; Carbonyl Compounds; Organic Building Blocks
1-Adamantanecarboxamide (CAS NO.5511-18-2) is used in reproduction of Sindbis virus strains sensitive and resistant to 1-adamantanecarboxamide .
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 600mg/kg (600mg/kg) | Pharmaceutical Chemistry Journal Vol. 10, Pg. 579, 1976. |
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: AU4452000
1-Adamantanecarboxamide (CAS NO.5511-18-2) is also named as Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide (9CI) . It is white solid.