(3S)-3-Amino-1-butanol supplier

Name
(S)-3-Aminobutan-1ol
EINECS
CAS No. 61477-39-2
Article Data3
CAS DataBase
Density 0.927 g/cm³
Solubility
Melting Point
Formula C₄H₁₁NO
Boiling Point 168.349 °C at 760 mmHg
Molecular Weight 89.1374
Flash Point 55.616 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Butanol,3-amino-, (S)-;
PSA 46.25000
LogP 0.41630

(3S)-3-Amino-1-butanol Specification

The 1-Butanol,3-amino-, (3S)-, with CAS registry number 61477-39-2, has the systematic name of (3S)-3-aminobutan-1-ol. Besides this, it is also called 1-Fmoc-4-(Cbz-amino)piperidine-4-carboxylic acid. And the chemical formula of this chemical is C₄H₁₁NO.

Physical properties of 1-Butanol,3-amino-, (3S)-: (1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 46.25 Å²; (7)Index of Refraction: 1.446; (8)Molar Refractivity: 25.609 cm³; (9)Molar Volume: 96.123 cm³; (10)Polarizability: 10.152×10^-24cm³; (11)Surface Tension: 35.387 dyne/cm; (12)Density: 0.927 g/cm³; (13)Flash Point: 55.616 °C; (14)Enthalpy of Vaporization: 47.133 kJ/mol; (15)Boiling Point: 168.349 °C at 760 mmHg; (16)Vapour Pressure: 0.531 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC[C@@H](N)C
(2)InChI: InChI=1/C4H11NO/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1
(3)InChIKey: AGMZSYQMSHMXLT-BYPYZUCNBF
(4)Std. InChI: InChI=1S/C4H11NO/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3/t4-/m0/s1
(5)Std. InChIKey: AGMZSYQMSHMXLT-BYPYZUCNSA-N

Product Name

(S)-3-Aminobutan-1ol

(3S)-3-Amino-1-butanol Specification

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