-
Name
ADAMANTANE-1-CARBOXAMIDINE
- EINECS
- CAS No. 173601-35-9
- Density
- Solubility
- Melting Point
- Formula C11H19N2
- Boiling Point 278.4 °C at 760 mmHg
- Molecular Weight 178.277
- Flash Point 122.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Amino(tricyclo[3.3.1.13,7]dec-1-yl)methaniminium;
- PSA 49.87000
- LogP 2.93880
Tricyclo[3.3.1.13,7]decane-1-carboximidamide Specification
The Tricyclo[3.3.1.13,7]decane-1-carboximidamide, with the CAS registry number of 173601-35-9, is also known as Amino(tricyclo[3.3.1.13,7]dec-1-yl)methaniminium. Its molecular formula is C11H19N2 and molecular weight is 179.281960. What's more, its IUPAC name is [1-Adamantyl(amino)methylidene]azanium.
Physical properties about the Tricyclo[3.3.1.13,7]decane-1-carboximidamide are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.42; (4)ACD/LogD (pH 7.4): -0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.73; (8)ACD/KOC (pH 7.4): 1.73; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.25 Å2; (13)Flash Point: 122.1 °C; (14)Enthalpy of Vaporization: 51.7 kJ/mol; (15)Boiling Point: 278.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00428 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [NH2+]=C(/N)C13CC2CC(CC(C1)C2)C3
(2) InChI: InChI=1/C11H18N2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13)/p+1
(3) InChIKey: UMSZZMYJNYFCNL-IKLDFBCSAE
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