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53716-53-3

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Basic Information
CAS No.: 53716-53-3
Name: N-BUTANE-1-D1
Article Data: 5
Molecular Structure:
Molecular Structure of 53716-53-3 (N-BUTANE-1-D1)
Formula: C4H9D
Molecular Weight: 59.1155
Synonyms: N-BUTANE-1-D1;n-Butane-1-D1 (gas);n-Butane-d1
Density: 0.625 g/cm3
PSA: 0.00000
LogP: 1.80640
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  • Butane-1-d (9CI)

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    Butane-1-d (9CI)

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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    Butane-1-d (9CI)

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    CLEARSYNTH LABS LTD - World's largest Inventory of Certified Reference Standards & Research Chemicals. Clearsynth Labs is a technology based research driven enterprise, offering i

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    Butane-1-d (9CI)

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    N-BUTANE-1-D3

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Specification

This chemical is called Butane-1-d (9CI), and its systematic name is (1-2H1)Butane. With the molecular formula of C4H9D, its molecular weight is 59.13. The CAS registry number of this chemical is 53716-53-3.

Other characteristics of the Butane-1-d (9CI) can be summarised as followings: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.745; (4)ACD/LogD (pH 7.4): 2.745; (5)ACD/BCF (pH 5.5): 71.833; (6)ACD/BCF (pH 7.4): 71.833; (7)ACD/KOC (pH 5.5): 741.937; (8)ACD/KOC (pH 7.4): 741.937; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.354; (13)Molar Refractivity: 20.58 cm3; (14)Molar Volume: 94.563 cm3; (15)Polarizability: 8.159×10-24cm3; (16)Surface Tension: 16.747 dyne/cm; (17)Density: 0.625 g/cm3; (18)Enthalpy of Vaporization: 22.44 kJ/mol; (19)Boiling Point: °C at 760 mmHg; (20)Vapour Pressure: 1918.196 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [2H]CCCC
2.InChI: InChI=1/C4H10/c1-3-4-2/h3-4H2,1-2H3/i1D
3.InChIKey: IJDNQMDRQITEOD-MICDWDOJEF