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102690-88-0 | Phosphoramidous acid, N,N-bis(1-methylethyl)-, bis(2-cyanoethyl) ester
CAS No: 102690-88-0 Catalog No: AG00084N MDL No:MFCD00797597
Product Description
Catalog Number:
AG00084N
Chemical Name:
Phosphoramidous acid, N,N-bis(1-methylethyl)-, bis(2-cyanoethyl) ester
CAS Number:
102690-88-0
Molecular Formula:
C12H22N3O2P
Molecular Weight:
271.2957
MDL Number:
MFCD00797597
IUPAC Name:
3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
InChI:
InChI=1S/C12H22N3O2P/c1-11(2)15(12(3)4)18(16-9-5-7-13)17-10-6-8-14/h11-12H,5-6,9-10H2,1-4H3
InChI Key:
LDHWBEHZLFDXCU-UHFFFAOYSA-N
SMILES:
CC(N(P(OCCC#N)OCCC#N)C(C)C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.145g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.301g/mol
Monoisotopic Mass:
271.145g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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