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127292-42-6 | 1,3-Benzodioxole-5-methanamine, α-ethyl-
CAS No: 127292-42-6 Catalog No: AG000WVQ MDL No:
Product Description
Catalog Number:
AG000WVQ
Chemical Name:
1,3-Benzodioxole-5-methanamine, α-ethyl-
CAS Number:
127292-42-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
1-(1,3-benzodioxol-5-yl)propan-1-amine
InChI:
InChI=1S/C10H13NO2/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5,8H,2,6,11H2,1H3
InChI Key:
VEOUOCLRLNJOLJ-UHFFFAOYSA-N
SMILES:
CCC(c1ccc2c(c1)OCO2)N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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