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| CAS No.: | 709031-39-0 |
|---|---|
| Name: | (1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxamide hydrochloride |
| Molecular Structure: | |
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| Formula: | C6H10N2O·HCl |
| Molecular Weight: | 162.619 |
| Synonyms: | 2-Azabicyclo[3.1.0]hexane-3-carboxamide, (1S,3S,5S)-, HCl (1:1); |
| EINECS: | 1308068-626-2 |
| Density: | 1.238g/cm3 |
| Boiling Point: | 331.9 °C at 760 mmHg |
| Flash Point: | 154.5 °C |
| PSA: | 56.11000 |
| LogP: | 1.50260 |
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Specification
The l-cis-4,5-methanoprolinamide hydrochloride, with the CAS registry number 709031-39-0, is also known as 2-Azabicyclo[3.1.0]hexane-3-carboxamide, (1S,3S,5S)-, HCl (1:1). This chemical's molecular formula is C6H10N2O·HCl and molecular weight is 163.00. What's more, its systematic name is called (1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxamide hydrochloride (1:1).
Physical properties about l-cis-4,5-methanoprolinamide hydrochloride are: (1)ACD/LogP: -1.661; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.60; (4)ACD/LogD (pH 7.4): -3.20; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å2; (13)Flash Point: 154.5 °C; (14)Enthalpy of Vaporization: 57.46 kJ/mol; (15)Boiling Point: 331.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000151 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)[C@H]1N[C@H]2C[C@H]2C1.Cl
(2) InChI: InChI=1S/C6H10N2O.ClH/c7-6(9)5-2-3-1-4(3)8-5;/h3-5,8H,1-2H2,(H2,7,9);1H/t3-,4-,5-;/m0./s1
(3) InChIKey: JFUDIEFZSNQJBS-SHLRHQAISA-N