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78219-97-3 | N,N-BIS(2-CHLOROETHYL)-4,5-DIMETHYL-2-OXO-6-PROPYL-1-OXA-3-AZA-2-PHOSPHACYCLOHEXAN-2-AMINE
CAS No: 78219-97-3 Catalog No: AG005CHR MDL No:
Product Description
Catalog Number:
AG005CHR
Chemical Name:
N,N-BIS(2-CHLOROETHYL)-4,5-DIMETHYL-2-OXO-6-PROPYL-1-OXA-3-AZA-2-PHOSPHACYCLOHEXAN-2-AMINE
CAS Number:
78219-97-3
Molecular Formula:
C12H25Cl2N2O2P
Molecular Weight:
331.2189
IUPAC Name:
N,N-bis(2-chloroethyl)-4,5-dimethyl-2-oxo-6-propyl-1,3,2λ5-oxazaphosphinan-2-amine
InChI:
InChI=1S/C12H25Cl2N2O2P/c1-4-5-12-10(2)11(3)15-19(17,18-12)16(8-6-13)9-7-14/h10-12H,4-9H2,1-3H3,(H,15,17)
InChI Key:
QZSZEOYSBMTGPI-UHFFFAOYSA-N
SMILES:
CCCC1OP(=O)(NC(C1C)C)N(CCCl)CCCl
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.218g/mol
Monoisotopic Mass:
330.103g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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