-
Name
2-(propan-2-ylamino)butan-1-ol
- EINECS
- CAS No. 51977-18-5
- Article Data2
- CAS DataBase
- Density 0.868 g/cm3
- Solubility
- Melting Point
- Formula C7H17NO
- Boiling Point 204.8 °C at 760 mmHg
- Molecular Weight 131.218
- Flash Point 66.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-(Isopropylamino)-1-butanol;NSC 49158;
- PSA 32.26000
- LogP 1.14620
1-Butanol,2-[(1-methylethyl)amino]- Specification
The 1-Butanol,2-[(1-methylethyl)amino]-, with the CAS registry number 51977-18-5, is also known as 2-Isopropylamino-butan-1-ol. This chemical's molecular formula is C7H17NO and molecular weight is 131.216. What's more, its systematic name is called 2-(Propan-2-ylamino)butan-1-ol.
Physical properties about 1-Butanol,2-[(1-methylethyl)amino]- are: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.436; (8)Molar Refractivity: 39.52 cm3; (9)Molar Volume: 151.1 cm3; (10)Surface Tension: 28.7 dyne/cm; (11)Density: 0.868 g/cm3; (12)Flash Point: 66.5 °C; (13)Enthalpy of Vaporization: 51.3 kJ/mol; (14)Boiling Point: 204.8 °C at 760 mmHg; (15)Vapour Pressure: 0.062 mmHg at 25 °C.
Uses of 1-Butanol,2-[(1-methylethyl)amino]-: it is used to produce other chemicals. For example, it is used to produce [1-(Benzo[1,3,2]dioxaphosphol-2-yloxymethyl)-propyl]-isopropyl-amine. The reaction occurs with reagent Et3N and solvent Benzene other condition of heating for 60 hours. The yield is 86 %.
![1-Butanol,2-[(1-methylethyl)amino]- is used to produce [1-(Benzo[1,3,2]dioxaphosphol-2-yloxymethyl)-propyl]-isopropyl-amine.](/UserFilesUpload/Uses of 1-Butanol,2-[(1-methylethyl)amino]-.jpg)
You can still convert the following datas into molecular structure:
(1) SMILES: OCC(NC(C)C)CC
(2) InChI: InChI=1/C7H17NO/c1-4-7(5-9)8-6(2)3/h6-9H,4-5H2,1-3H3
(3) InChIKey: HHZREYAIWSZPGE-UHFFFAOYAR
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- 51980-54-2
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