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Home Aminos Phosphonic acid, P,P'-(1-aminopropylidene)bis-

Phosphonic acid, P,P'-(1-aminopropylidene)bis-

CAS No.:
15049-86-2
Catalog Number:
AG001MNN
Molecular Formula:
C3H11NO6P2
Molecular Weight:
219.0701
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Product Description
Catalog Number:
AG001MNN
Chemical Name:
Phosphonic acid, P,P'-(1-aminopropylidene)bis-
CAS Number:
15049-86-2
Molecular Formula:
C3H11NO6P2
Molecular Weight:
219.0701
MDL Number:
MFCD24623037
IUPAC Name:
(1-amino-1-phosphonopropyl)phosphonic acid
InChI:
InChI=1S/C3H11NO6P2/c1-2-3(4,11(5,6)7)12(8,9)10/h2,4H2,1H3,(H2,5,6,7)(H2,8,9,10)
InChI Key:
PCTMREJZUSEOQD-UHFFFAOYSA-N
SMILES:
CCC(P(=O)(O)O)(P(=O)(O)O)N
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.006g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
219.07g/mol
Monoisotopic Mass:
219.006g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7  
Literature
Title Journal
Two members of the bisphosphonate class of drugs: a zwitterion and a molecular compound. Acta crystallographica. Section C, Crystal structure communications 20030601
Properties