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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Chemistry

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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 Formula	C₇H₉NO
Molecular Weight	123.15 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	123.068413911 g/mol
Monoisotopic Mass	123.068413911 g/mol
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	48.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2