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Home > Nitro Compounds > 64170-94-1
64170-94-1 | Piperidine, 1-nitro-2-propyl-
CAS No: 64170-94-1 Catalog No: AG00H8SH MDL No:
Product Description
Catalog Number:
AG00H8SH
Chemical Name:
Piperidine, 1-nitro-2-propyl-
CAS Number:
64170-94-1
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
IUPAC Name:
1-nitro-2-propylpiperidine
InChI:
InChI=1S/C8H16N2O2/c1-2-5-8-6-3-4-7-9(8)10(11)12/h8H,2-7H2,1H3
InChI Key:
FWOMAOSLLIUQAG-UHFFFAOYSA-N
SMILES:
CCCC1CCCCN1[N+](=O)[O-]
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.228g/mol
Monoisotopic Mass:
172.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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