Allyltrimethylammonium chloride

HCID 15198CAS 1516-27-4
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CC[N+](C)(C)C.[Cl-]
InChIKey
TZYULTYGSBAILI-UHFFFAOYSA-M
Molecular formula
C6H14ClN
Average molar mass
135.63 g/mol
Monoisotopic mass
135.08147713

Names & identifiers

Preferred name
Allyltrimethylammonium chloride
IUPAC
trimethyl(prop-2-enyl)azanium chloride
English name
allyltrimethylammonium chloride
Molecular formula
C6H14ClN
Molecular weight
135.63506

Names & synonyms

ALLYLTRIMETHYLAMMONIUM CHLORIDEHomoneurine chloride2-Propen-1-aminium, N,N,N-trimethyl-, chloride2-Propen-1-aminium, N,N,N-trimethyl-, chloride (1:1)Ammonium, allyltrimethyl-, chlorideTNV3AA7VHHUNII-TNV3AA7VHHHSDB 5834EINECS 216-164-3NSC 51212NSC-51212trimethylallylammonium chloride
Show more names
TAACTriMethyl Allyl aMMoniuM chloride2-MethylthioureaenepropyltrimethylchloroAllyltrimethylaminium·chloriderimethyl(prop-2-enyl)azanium,chloridetrimethyl(prop-2-enyl)azanium,chloridetrimethyl(prop-2-enyl)ammonium chlorideN,N,N-Trimethyl-2-propen-1-aminium chloride
DTXSID00883577HOMONEURINE CHLORIDE [HSDB]RefChem:110922Ammonium, allyltrimethyl, chlorideDTXCID1010230942Propen1aminium, N,N,Ntrimethyl, chloride216-164-31516-27-4

Database identifiers

CAS
1516-27-4
PubChem CID
15198
DTXSID
DTXSID00883577
UNII
TNV3AA7VHH
EC Number
216-164-3

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
8

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Quaternary Amines
DecompositionWhen heated to decomposition it emits toxic fumes of /nitrogen oxides/ and /hydrogen chloride/

Physicochemical properties

Melting point
185 · 185-186 °C(Solv: acetone (67-64-1))
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance
Light yellow to yellow Solid
InChI
InChI=1S/C6H14N.ClH/c1-5-6-7(2,3)4;/h5H,1,6H2,2-4H3;1H/q+1;/p-1
InChIKey
TZYULTYGSBAILI-UHFFFAOYSA-M
SMILES
C(C=C)[N+](C)(C)C.[Cl-]

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazards SummarySubcutaneous LDLo (mouse) = 180 mg/kg; [RTECS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety & protection

Disposal Methods · 1 item

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Toxicology

Human Toxicity ExcerptsPoison by subcutaneous route.
Non-Human Toxicity ExcerptsALLYLTRIMETHYLAMMONIUM CHLORIDE APPLIED TO SOILS AT 0.5 G/POT CONSIDERABLY DECREASED GROWTH RATE OF BEANS.

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazardous Substances Data
1516-27-4(Hazardous Substances Data)

Chemistry & industry

Uses & manufacturing

UsesUsed in hair conditioners, rinses, and shampoos; [HSDB]
U.S. Production · 2 items

(1977) AT LEAST 4.54X10+7 GRAMS

(1980) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Methods of ManufacturingPROBABLY BY REACTION OF TRIMETHYLAMINE WITH 3-CHLORO-1-PROPENE
General Manufacturing Information · 2 items

2-Propen-1-aminium, N,N,N-trimethyl-, chloride (1:1): INACTIVE

USED IN HAIR TREATING COSMETICS, SUCH AS HAIR CONDITIONERS, RINSES, & SHAMPOOS.

Applications · 1 item

UsesAllyltrimethylammonium chloride can produce zwitterionic water treatment scale inhibitor and dispersant, drilling fluid viscosity reducer and water treatment flocculant, etc. This product can be a clay stabilizer for oil production and water injection. It has better results when used in conjunction with ammonium chloride. It can also be used in drilling fluids, but the amount added cannot exceed 0.3%.

Upstream & downstream products

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

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