Home Halogens 2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate

2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate

CAS No.:
6055-19-2
Catalog Number:
AG0039L8
Molecular Formula:
C7H17Cl2N2O3P
Molecular Weight:
279.1012
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$73
- +
5g
98%
In Stock USA
United States
$146
- +
25g
98%
In Stock USA
United States
$446
- +
Product Description
Catalog Number:
AG0039L8
Chemical Name:
2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate
CAS Number:
6055-19-2
Molecular Formula:
C7H17Cl2N2O3P
Molecular Weight:
279.1012
MDL Number:
MFCD00149395
IUPAC Name:
N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;hydrate
InChI:
InChI=1S/C7H15Cl2N2O2P.H2O/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14;/h1-7H2,(H,10,12);1H2
InChI Key:
PWOQRKCAHTVFLB-UHFFFAOYSA-N
SMILES:
ClCCN(P1(=O)NCCCO1)CCCl.O
UN Number:
2811
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
279.098g/mol
Monoisotopic Mass:
278.035g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
42.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties