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Home > Nitro Compounds > 1357352-31-8
1357352-31-8 | 2-(1-Benzyl-Piperidin-3-Yl)-3-Nitro-Propionic Acid Ethyl Ester
CAS No: 1357352-31-8 Catalog No: AG00HUCO MDL No:MFCD23726529
Product Description
Catalog Number:
AG00HUCO
Chemical Name:
2-(1-Benzyl-Piperidin-3-Yl)-3-Nitro-Propionic Acid Ethyl Ester
CAS Number:
1357352-31-8
Molecular Formula:
C17H24N2O4
Molecular Weight:
320.3835
MDL Number:
MFCD23726529
IUPAC Name:
ethyl 2-(1-benzylpiperidin-3-yl)-3-nitropropanoate
InChI:
InChI=1S/C17H24N2O4/c1-2-23-17(20)16(13-19(21)22)15-9-6-10-18(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13H2,1H3
InChI Key:
IGSPOQYRPVORNS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C1CCCN(C1)Cc1ccccc1)C[N+](=O)[O-]
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.389g/mol
Monoisotopic Mass:
320.174g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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