Allyltriethylammonium Bromide

CAT: 0127-OR1012247-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1012247-01Size:5 g

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CAS Number

29443-23-0

MDL Number

MFCD00051865

Purity

97%

Smiles

[Br-].CC[N+](CC)(CC)CC=C

Chemical Information

2-Propen-1-aminium, N,N,N-triethyl-, bromide (1:1)

CAS Number	29443-23-0
PubChem CID	122377
IUPAC Name	triethyl(prop-2-enyl)azanium bromide
Molecular Formula	C9H20BrN
Molecular Weight	222.17
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	84

SMILES

CC[N+](CC)(CC)CC=C.[Br-]

InChI

InChI=1S/C9H20N.BrH/c1-5-9-10(6-2,7-3)8-4;/h5H,1,6-9H2,2-4H3;1H/q+1;/p-1

InChIKey

BDRVEARQBLPFIP-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 29443-23-0

CID: 122377

Formula: C9H20BrN

MW: 222.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.17
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	221.07791
Monoisotopic Mass	221.07791
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	84.6
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
OR315490-01	Tetrabutylphosphonium bromide
OR1075900	Cyclobutylmagnesium bromide
OR1025682-01	Rocuronium Bromide
OR1042801-01	Triethylmethylammonium bromide
OR1027726	Valethamate Bromide
OR1027561-01	Ipratropium bromide
BUP11916-01	Prifinium bromide
OR13196-01	Phenacyl bromide
OR16937-01	Allyl bromide
OR7540	Nonyl bromide

Catalog	Name
sc-278687	Allyltriethylammonium bromide
A15590-01	Allyltriethylammonium bromide 98%
29309654-500g	Hexadecyltrimethylammonium bromide (Cetyltrimethylammonium bromide)
CB0105	Cetyldimethylethyl ammonium bromide (Ethylhexadecyldimethylammonium bromide)
AR-I03852-01	Ipratropium Bromide Impurity 11 Bromide
AR-U01225-01	Umeclidinium Bromide Impurity 6 Bromide
AR-R11297-01	Rocuronium Bromide Impurity 7 Bromide
O5553-02	Octylonium Bromide (Spasmonen. Otilonium Bromide)
AR-I03850-01	Ipratropium Bromide Impurity 6 Bromide
AR-P31696-01	Pinaverium Bromide Impurity 7 Bromide