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Polyamine T
Also known as: Aniline;formaldehyde, 25214-70-4, Aniline ch2o, Schembl180958
Molecular Formula
C7H9NO
Molecular Weight
123.15  g/mol
InChI Key
OUCPJZWNFRYRBI-UHFFFAOYSA-N

1 2D Structure

Polyamine T

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
aniline;formaldehyde
2.1.2 InChI
InChI=1S/C6H7N.CH2O/c7-6-4-2-1-3-5-6;1-2/h1-5H,7H2;1H2
2.1.3 InChI Key
OUCPJZWNFRYRBI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C=O.C1=CC=C(C=C1)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Aniline;formaldehyde

2. 25214-70-4

3. Aniline Ch2o

4. Schembl180958

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 123.15 g/mol
Molecular Formula C7H9NO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass123.068413911 g/mol
Monoisotopic Mass123.068413911 g/mol
Topological Polar Surface Area43.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity48.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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