Home Other Building Blocks 1,3-Benzodioxole-5-methanamine, α-propyl-, hydrochloride (1:1), (αR)-

1,3-Benzodioxole-5-methanamine, α-propyl-, hydrochloride (1:1), (αR)-

CAS No.:
197508-49-9
Catalog Number:
AG002AUY
Molecular Formula:
C11H16ClNO2
Molecular Weight:
229.7032
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Product Description
Catalog Number:
AG002AUY
Chemical Name:
1,3-Benzodioxole-5-methanamine, α-propyl-, hydrochloride (1:1), (αR)-
CAS Number:
197508-49-9
Molecular Formula:
C11H16ClNO2
Molecular Weight:
229.7032
MDL Number:
MFCD03839864
IUPAC Name:
(1R)-1-(1,3-benzodioxol-5-yl)butan-1-amine;hydrochloride
InChI:
InChI=1S/C11H15NO2.ClH/c1-2-3-9(12)8-4-5-10-11(6-8)14-7-13-10;/h4-6,9H,2-3,7,12H2,1H3;1H/t9-;/m1./s1
InChI Key:
JJVFJKLPESJUDV-SBSPUUFOSA-N
SMILES:
CCC[C@H](c1ccc2c(c1)OCO2)[NH3+].[Cl-]
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
229.087g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.704g/mol
Monoisotopic Mass:
229.087g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties