-
Name
Decahydroisoquinoline
- EINECS 228-702-4
- CAS No. 6329-61-9
- Article Data32
- CAS DataBase
- Density 0.901 g/cm3
- Solubility
- Melting Point 180 °C
- Formula C9H17N
- Boiling Point 202.5 °C at 760 mmHg
- Molecular Weight 139.241
- Flash Point 105.6 °C
- Transport Information
- Appearance Colorless and transparent liquid
- Safety 26-36/37/39
- Risk Codes 36/37/38
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms Decahydroisoquinoline;NSC 43479;Octahydroisoquinoline;Perhydroisoquinoline;
- PSA 12.03000
- LogP 2.11490
Decahydroisoquinoline Specification
The Decahydroisoquinoline with the cas number 6329-61-9 is also called Isoquinoline,decahydro-. The IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline. Its EINECS registry number is 228-702-4. The molecular formula is C9H17N. The product category is API intermediates.
The properties of the chemical are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.62; (4)ACD/LogD (pH 7.4): -0.6; (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: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 42.9 cm3; (15)Molar Volume: 154.4 cm3; (16)Polarizability: 17×10-24cm3; (17)Surface Tension: 30.1 dyne/cm; (18)Enthalpy of Vaporization: 43.87 kJ/mol ; (19)Vapour Pressure: 0.292 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N2CCC1C(CCCC1)C2
(2)InChI: InChI=1/C9H17N/c1-2-4-9-7-10-6-5-8(9)3-1/h8-10H,1-7H2
(3)InChIKey: NENLYAQPNATJSU-UHFFFAOYAI
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