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71607-04-0 | 1-Buten-2-amine, N,3,3-trimethyl-N-nitro-
CAS No: 71607-04-0 Catalog No: AG005GCL MDL No:
Product Description
Catalog Number:
AG005GCL
Chemical Name:
1-Buten-2-amine, N,3,3-trimethyl-N-nitro-
CAS Number:
71607-04-0
Molecular Formula:
C7H14N2O2
Molecular Weight:
158.1983
IUPAC Name:
N-(3,3-dimethylbut-1-en-2-yl)-N-methylnitramide
InChI:
InChI=1S/C7H14N2O2/c1-6(7(2,3)4)8(5)9(10)11/h1H2,2-5H3
InChI Key:
TWZZBXGZWWPETL-UHFFFAOYSA-N
SMILES:
CN(C(=C)C(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.106g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.201g/mol
Monoisotopic Mass:
158.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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