-
Name
N-BUTYLHEXAMETHYLENEIMINE 97
- EINECS
- CAS No. 15753-35-2
- Article Data16
- CAS DataBase
- Density 0.835 g/cm3
- Solubility
- Melting Point
- Formula C10H21N
- Boiling Point 197.8 °C at 760 mmHg
- Molecular Weight 155.283
- Flash Point 78.1 °C
- Transport Information
- Appearance
- Safety 26-36/37/39-45
- Risk Codes 34
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Molecular Structure
-
Hazard Symbols
C
- Synonyms Hexamethylenimine,1-butyl- (6CI);1-Butylhexahydro-1H-azepine;NSC 96846;1-Butylazepane;N-Butylhexamethyleneimine;
- PSA 3.24000
- LogP 2.60040
1H-Azepine,1-butylhexahydro- Specification
The 1H-Azepine,1-butylhexahydro-, with the CAS registry number 15753-35-2, is also known as N-Butylhexamethyleneimine. It belongs to the product categories of Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Homopiperidines. This chemical's molecular formula is C10H21N and molecular weight is 155.28. What's more, its systematic name is 1-butylazepane.
Physical properties of 1H-Azepine,1-butylhexahydro- are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.448; (8)Molar Refractivity: 49.82 cm3; (9)Molar Volume: 185.8 cm3; (10)Polarizability: 19.75×10-24cm3; (11)Surface Tension: 27.9 dyne/cm; (12)Density: 0.835 g/cm3; (13)Flash Point: 78.1 °C; (14)Enthalpy of Vaporization: 43.4 kJ/mol; (15)Boiling Point: 197.8 °C at 760 mmHg; (16)Vapour Pressure: 0.371 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: N1(CCCC)CCCCCC1
(2)InChI: InChI=1S/C10H21N/c1-2-3-8-11-9-6-4-5-7-10-11/h2-10H2,1H3
(3)InChIKey: IIUDBWFOJYPWAK-UHFFFAOYSA-N
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