Home Other Building Blocks (2,2-dimethyl-2H-1,3-benzodioxol-5-yl)methanamine

(2,2-dimethyl-2H-1,3-benzodioxol-5-yl)methanamine

CAS No.:
1019776-84-1
Catalog Number:
AG01A1B2
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG01A1B2
Chemical Name:
(2,2-dimethyl-2H-1,3-benzodioxol-5-yl)methanamine
CAS Number:
1019776-84-1
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD20726280
IUPAC Name:
(2,2-dimethyl-1,3-benzodioxol-5-yl)methanamine
InChI:
InChI=1S/C10H13NO2/c1-10(2)12-8-4-3-7(6-11)5-9(8)13-10/h3-5H,6,11H2,1-2H3
InChI Key:
AZFZYNWXGOTZFG-UHFFFAOYSA-N
SMILES:
NCc1ccc2c(c1)OC(O2)(C)C
Properties
Complexity:
193  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties