(2R)-3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride

HCID 200829CAS 2788-28-5
Substructure searchFind similar structures

Basic information

Standard SMILES
C[N+](C)(C)C[C@H](O)CC#N.[Cl-]
InChIKey
RWFHESXUMALJEW-UHFFFAOYSA-N
Molecular formula
C7H15ClN2O
Average molar mass
178.66 g/mol

Names & identifiers

Preferred name
(2R)-3-Cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride
IUPAC
[(2R)-3-cyano-2-hydroxypropyl]-trimethylazanium chloride
English name
D(+)-CARNITINENITRILE CHLORIDE
Molecular formula
C7H15N2O.Cl
Molecular weight
178.66

Names & synonyms

(2R)-3-cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride1-Propanaminium, 3-cyano-2-hydroxy-N,N,N-trimethyl-, chloride (1:1), (2R)-RefChem:397341700-669-52788-28-5L-Carnitinenitrile chloride(R)-3-cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride(R)-3-Cyano-2-hydroxy-N,N,N-trimethyl-1-propanaminium chloride1-Propanaminium, 3-cyano-2-hydroxy-N,N,N-trimethyl-, chloride, (R)-YZ14J88719[(2R)-3-cyano-2-hydroxypropyl]-trimethylazanium;chloride[(2R)-3-CYANO-2-HYDROXYPROPYL]TRIMETHYLAZANIUM CHLORIDE
Show more names
L-carnitrile(2R)-Carnitinenitrile Chloride-1-Propanaminium ChLL-carnitine impurity 2Levocarnitine Impurity 5D-CARNITINENITRILE CHLORIDE
L-Carnitinnitrilchlorid [German]L-CarnitinnitrilchloridL-(3-Cyano-2-hydroxypropyl)trimethylammonium chlorideAmmonium, (3-cyano-2-hydroxypropyl)trimethyl-, chloride, L-Levocarnitine Impurity 6EC 700-669-5L-carnitine nitrile chlorideSCHEMBL28343875

Database identifiers

CAS
2788-28-5
PubChem CID
200829
UNII
YZ14J88719
EC Number
700-669-5

Properties

Computed structural properties

Topological polar surface area
44 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
11

Physicochemical properties

Melting point
249 °C · 249 °C
form
Crystalline
InChI
InChI=1S/C7H11ClN2O2/c1-10(2,5-9)6(8)3-4-7(11)12/h6H,3-4H2,1-2H3
InChIKey
RWFHESXUMALJEW-UHFFFAOYSA-N
SMILES
[O-]C(CCC(Cl)[N+](C)(C)C#N)=O
FDA UNII
14 J88719 · YZ14J88719

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationREACH registered substance: (2R)-3-cyano-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride (EC: 700-669-5)
Hazard Classes and CategoriesAcute Tox. 4 (20%)

Safety data

Toxicity
mouse,LD50,subcutaneous,300mg/kg (300mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: CYANOSISBEHAVIORAL: FLUID INTAKE,Acta Biologica et Medica Germanica. Vol. 3, Pg. 28, 1959.
safety_code
24/25
REACH Registrations
Active

Chemistry & industry

Applications

Uses(2R)-Carnitinenitrile Chloride is used in biological studies to stud the action of carnitine and related compounds on acetylcholine receptors of neurons from Helix aspersa.

Uses(2R)-Carnitinenitrile Chloride is used in biological studies to stud the action of carnitine and related compounds on acetylcholine receptors of neurons from Helix aspersa.

Upstream & downstream products

Downstream products

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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