1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

acetic acid;ethanamine

2.1.2 InChI

InChI=1S/C2H7N.C2H4O2/c1-2-3;1-2(3)4/h2-3H2,1H3;1H3,(H,3,4)

2.1.3 InChI Key

QRMKTNANRJCRCY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN.CC(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Ethylamine Acetate

2. 25596-29-6

3. Dtxsid10480334

4. Q27132887

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₄H₁₁NO₂
Molecular Weight	105.14 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	105.078978594 g/mol
Monoisotopic Mass	105.078978594 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	33.8
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

Ethylamine Acetate