Benzyltrimethylammonium Hydroxide

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CAS Number

100-85-6

MDL Number

MFCD00008281

Purity

25% in water

Smiles

[OH-].C[N+](C)(C)Cc1ccccc1

Notes

40% in Methanol

Chemical Information

Benzyltrimethylammonium hydroxide

CAS Number	100-85-6
PubChem CID	66854
IUPAC Name	benzyl(trimethyl)azanium hydroxide
Molecular Formula	C10H17NO
Molecular Weight	167.25
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	107

SMILES

C[N+](C)(C)CC1=CC=CC=C1.[OH-]

InChI

InChI=1S/C10H16N.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H2/q+1;/p-1

InChIKey

NDKBVBUGCNGSJJ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 100-85-6

CID: 66854

Formula: C10H17NO

MW: 167.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.25
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	167.131014166
Monoisotopic Mass	167.131014166
Topological Polar Surface Area	1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	107
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
Compound Is Canonicalized	Yes

Catalog	Name
OR1030627-01	Benzyltriethylammonium Hydroxide
OR72499-01	Benzyltrimethylammonium tetrachloroiodate
OR316020-01	Benzyltrimethylammonium dichloroiodate
OR72492-01	Benzyltrimethylammonium tribromide
OR72865	Benzyltriethylammonium hydroxide (10% in water)
OR1004148-01	Benzyltrimethylammonium methoxide - 40 wt.% solution in Methanol
IN12565-01	Magnesium hydroxide
IN12065	Chromium Hydroxide
OR1028001	Choline Hydroxide
IN12005	Zirconium Hydroxide

Catalog	Name
JH600493	Benzyltrimethylammonium hydroxide
sc-291965	Benzyltrimethylammonium Hydroxide (10% in Water)
TRC-B316168-10G	Benzyltrimethylammonium Hydroxide (40% aq)
sc-291966	Benzyltrimethylammonium Hydroxide (40% in Methanol)
sc-291967	Benzyltrimethylammonium Hydroxide (40% in Water)
TRC-B316168-25G	Benzyltrimethylammonium Hydroxide (~35% wt % in H2O)
B09770-01	Benzyltrimethylammonium hydroxide 35% solution in Methanol
TYD-01373-01	Benzyltrimethylammonium tetrachloroiodate
sc-239331	Benzyltrimethylammonium chloride
TRC-B222505-5G	Benzyltrimethylammonium Tribromide