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74341-76-7 | 1-benzo[1,3]dioxol-5-yl-N-propan-2-yl-propan-2-amine hydrochloride
CAS No: 74341-76-7 Catalog No: AG005Y21 MDL No:
Product Description
Catalog Number:
AG005Y21
Chemical Name:
1-benzo[1,3]dioxol-5-yl-N-propan-2-yl-propan-2-amine hydrochloride
CAS Number:
74341-76-7
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
IUPAC Name:
1-(1,3-benzodioxol-5-yl)-N-propan-2-ylpropan-2-amine;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/c1-9(2)14-10(3)6-11-4-5-12-13(7-11)16-8-15-12;/h4-5,7,9-10,14H,6,8H2,1-3H3;1H
InChI Key:
IQKXMWWDHAZTPZ-UHFFFAOYSA-N
SMILES:
CC(NC(Cc1ccc2c(c1)OCO2)C)C.Cl
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.758g/mol
Monoisotopic Mass:
257.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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