Home Halogens Phosphonic acid, P,P'-(dichloromethylene)bis-, compd. with N,N-dibutyl-1-butanamine (1:1)

Phosphonic acid, P,P'-(dichloromethylene)bis-, compd. with N,N-dibutyl-1-butanamine (1:1)

CAS No.:
163706-61-4
Catalog Number:
AG001UBT
Molecular Formula:
C13H31Cl2NO6P2
Molecular Weight:
430.2419
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Product Description
Catalog Number:
AG001UBT
Chemical Name:
Phosphonic acid, P,P'-(dichloromethylene)bis-, compd. with N,N-dibutyl-1-butanamine (1:1)
CAS Number:
163706-61-4
Molecular Formula:
C13H31Cl2NO6P2
Molecular Weight:
430.2419
MDL Number:
MFCD29916812
IUPAC Name:
N,N-dibutylbutan-1-amine;[dichloro(phosphono)methyl]phosphonic acid
InChI:
InChI=1S/C12H27N.CH4Cl2O6P2/c1-4-7-10-13(11-8-5-2)12-9-6-3;2-1(3,10(4,5)6)11(7,8)9/h4-12H2,1-3H3;(H2,4,5,6)(H2,7,8,9)
InChI Key:
NDWFZUQKBXXXGW-UHFFFAOYSA-N
SMILES:
ClC(P(=O)(O)O)(P(=O)(O)O)Cl.CCCCN(CCCC)CCCC
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.1g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
430.24g/mol
Monoisotopic Mass:
429.1g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties