CAS 14268-66-7 | Benzo[d][1,3]dioxol-5-amine | CAS Number 14268-66-7

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14268-66-7 | Benzo[d][1,3]dioxol-5-amine

CAS No: 14268-66-7 Catalog No: AG003O1T MDL No:MFCD00005832

Product Description

Catalog Number:

AG003O1T

Chemical Name:

Benzo[d][1,3]dioxol-5-amine

CAS Number:

14268-66-7

Molecular Formula:

C7H7NO2

Molecular Weight:

137.1360

MDL Number:

MFCD00005832

IUPAC Name:

1,3-benzodioxol-5-amine

InChI:

InChI=1S/C7H7NO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4,8H2

InChI Key:

XGNXYCFREOZBOL-UHFFFAOYSA-N

SMILES:

Nc1ccc2c(c1)OCO2

EC Number:

238-161-6

UNII:

2Q750587K8

NSC Number:

155176

Properties

Complexity:

129

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

137.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

137.138g/mol

Monoisotopic Mass:

137.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
A comparison of the supramolecular structures of 1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and 1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(N,N-dimethylamino)phenyl]prop-2-en-1-one.	Acta crystallographica. Section C, Crystal structure communications 20020101