Home Other Building Blocks 2-ethyl-2-methyl-2H-1,3-benzodioxol-5-amine

2-ethyl-2-methyl-2H-1,3-benzodioxol-5-amine

CAS No.:
75200-74-7
Catalog Number:
AG01AB5X
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG01AB5X
Chemical Name:
2-ethyl-2-methyl-2H-1,3-benzodioxol-5-amine
CAS Number:
75200-74-7
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD18838656
IUPAC Name:
2-ethyl-2-methyl-1,3-benzodioxol-5-amine
InChI:
InChI=1S/C10H13NO2/c1-3-10(2)12-8-5-4-7(11)6-9(8)13-10/h4-6H,3,11H2,1-2H3
InChI Key:
ZFOWCCGICLWLGD-UHFFFAOYSA-N
SMILES:
CCC1(C)Oc2c(O1)ccc(c2)N
Properties
Complexity:
197  
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:
1  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties