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17316-67-5

Basic Information
CAS No.: 17316-67-5
Name: Butafosfan
Article Data: 1
Molecular Structure:
Molecular Structure of 17316-67-5 (Butafosfan)
Formula: C7H18NO2P
Molecular Weight: 179.199
Synonyms: Phosphinicacid, [1-(butylamino)-1-methylethyl]- (8CI,9CI);1-(Butylamino)-1-methylethylphosphonous acid;(1-(Butylamino)-1-methylethyl)phosphinic acid;[2-(Butylamino)propan-2-yl]phosphinic acid;phosphinic acid, P-[1-(butylamino)-1-methylethyl]-;
EINECS: 241-341-7
Melting Point: 219 °C
Boiling Point: 273.4 °C at 760 mmHg
Flash Point: 119.2 °C
PSA: 72.80000
LogP: 1.97010
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  • Butafosfan 17316-67-5

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    Butafosfan 17316-67-5

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Specification

The Phosphinic acid,P-[1-(butylamino)-1-methylethyl]-, with the CAS registry number 17316-67-5 and EINECS registry number 241-341-7, has the systematic name of [1-(butylamino)-1-methylethyl]phosphinic acid. It is also known as Butafosfan. And the molecular formula of this chemical is C7H18NO2P.

The physical properties of Phosphinic acid,P-[1-(butylamino)-1-methylethyl]- are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 59.14 Å2; (10)Flash Point: 119.2 °C; (11)Enthalpy of Vaporization: 56.33 kJ/mol; (12)Boiling Point: 273.4 °C at 760 mmHg; (13)Vapour Pressure: 0.00159 mmHg at 25°C. 

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCNC(C)(C)P(O)=O
(2)InChI: InChI=1/C7H18NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8,11H,4-6H2,1-3H3,(H,9,10)
(3)InChIKey: WCXWARPXYQCRPP-UHFFFAOYAU