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Chemistry

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Also known as: Usaf el-78, Benzenemethanamine, n,n-dimethyl-, hydrochloride, 7olc3t9928, Einecs 217-509-0, Benzylamine, dimethyl-, hydrochloride, Unii-7olc3t9928
Molecular Formula
C9H14ClN
Molecular Weight
171.67  g/mol
InChI Key
CADWTSSKOVRVJC-UHFFFAOYSA-N

Benzalkonii Chloridum
1 2D Structure

Benzalkonii Chloridum

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzyl(dimethyl)azanium;chloride
2.1.2 InChI
InChI=1S/C9H13N.ClH/c1-10(2)8-9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3;1H
2.1.3 InChI Key
CADWTSSKOVRVJC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C[NH+](C)CC1=CC=CC=C1.[Cl-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Usaf El-78

2. Benzenemethanamine, N,n-dimethyl-, Hydrochloride

3. 7olc3t9928

4. Einecs 217-509-0

5. Benzylamine, Dimethyl-, Hydrochloride

6. Unii-7olc3t9928

7. Schembl22132

8. Dimethyl Benzyl Ammonium Chloride

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 171.67 g/mol
Molecular Formula C9H14ClN
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass171.0814771 g/mol
Monoisotopic Mass171.0814771 g/mol
Topological Polar Surface Area4.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity82.7
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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