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181481-62-9 | 1,3-Benzodioxole-5-methanamine, α-propyl-, (αR)-
CAS No: 181481-62-9 Catalog No: AG0022WF MDL No:MFCD09251283
Product Description
Catalog Number:
AG0022WF
Chemical Name:
1,3-Benzodioxole-5-methanamine, α-propyl-, (αR)-
CAS Number:
181481-62-9
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD09251283
IUPAC Name:
(1R)-1-(1,3-benzodioxol-5-yl)butan-1-amine
InChI:
InChI=1S/C11H15NO2/c1-2-3-9(12)8-4-5-10-11(6-8)14-7-13-10/h4-6,9H,2-3,7,12H2,1H3/t9-/m1/s1
InChI Key:
DFTBFIMTDRVUQC-SECBINFHSA-N
SMILES:
CCC[C@H](c1ccc2c(c1)OCO2)N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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