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76167-58-3 | 4-Piperidinamine,1-(1,3-benzodioxol-5-ylmethyl)-
CAS No: 76167-58-3 Catalog No: AG0057N0 MDL No:MFCD09031983
Product Description
Catalog Number:
AG0057N0
Chemical Name:
4-Piperidinamine,1-(1,3-benzodioxol-5-ylmethyl)-
CAS Number:
76167-58-3
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
MDL Number:
MFCD09031983
IUPAC Name:
1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-amine
InChI:
InChI=1S/C13H18N2O2/c14-11-3-5-15(6-4-11)8-10-1-2-12-13(7-10)17-9-16-12/h1-2,7,11H,3-6,8-9,14H2
InChI Key:
CHPNPFRWYMETGD-UHFFFAOYSA-N
SMILES:
NC1CCN(CC1)Cc1ccc2c(c1)OCO2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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