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128611-14-3 | 2-Oxiranemethanamine, N-(4-nitrophenyl)-N-(2-oxiranylmethyl)-
CAS No: 128611-14-3 Catalog No: AG000Y8B MDL No:
Product Description
Catalog Number:
AG000Y8B
Chemical Name:
2-Oxiranemethanamine, N-(4-nitrophenyl)-N-(2-oxiranylmethyl)-
CAS Number:
128611-14-3
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
IUPAC Name:
4-nitro-N,N-bis(oxiran-2-ylmethyl)aniline
InChI:
InChI=1S/C12H14N2O4/c15-14(16)10-3-1-9(2-4-10)13(5-11-7-17-11)6-12-8-18-12/h1-4,11-12H,5-8H2
InChI Key:
RRVXJZNWNUVTEI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N(CC1OC1)CC1OC1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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