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Butafosfan

CAT: 0572-TRC-B689410-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B689410-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17316-67-5
Synonyms
Butafosfan; Butaphosphan; [1-(Butylamino)-1-methylethyl]phosphinic acid; 1-(Butylamino)-1-methylethylphosphonous acid; P-[1-(Butylamino)-1-methylethyl]phosphinic acid
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CCCCNC(C)(C)P(=O)O
Molecular Formula
C7 H18 N O2 P
Molecular Weight
179.2
InChI
InChI=1S/C7H18NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8,11H,4-6H2,1-3H3,(H,9,10)
Additionnal Information
IUPAC name: 2-(butylamino)propan-2-ylphosphinic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

P-(1-(Butylamino)-1-methylethyl)phosphinic acid

Butafosfan is a small molecule drug. Butafosfan has a monoisotopic molecular weight of 179.11 Da.

CAS Number17316-67-5
PubChem CID72084
IUPAC Name2-(butylamino)propan-2-ylphosphinic acid
Molecular FormulaC7H18NO2P
Molecular Weight179.20
XLogP-1.9
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
CCCCNC(C)(C)P(=O)O
InChI
InChI=1S/C7H18NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8,11H,4-6H2,1-3H3,(H,9,10)
InChIKey
WCXWARPXYQCRPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of P-(1-(Butylamino)-1-methylethyl)phosphinic acid
CAS: 17316-67-5
CID: 72084
Formula: C7H18NO2P
MW: 179.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.20
XLogP3-1.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass179.10751581
Monoisotopic Mass179.10751581
Topological Polar Surface Area49.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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