2-(chloromethyl)-4,5-dihydro-1H-imidazole

HCID 426328

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Basic information

CAS: 50342-08-0
Standard SMILES: ClCC1=NCCN1
InChIKey: YFBPRBZDQSMTKG-UHFFFAOYSA-N
Molecular formula: C4H7ClN2
Average molar mass: 118.56 g/mol
Monoisotopic mass: 118.0297759

Overview

2-(chloromethyl)-4,5-dihydroimidazole is an imidazoline that is 4,5-dihydroimidazole bearing a chloromethyl substituent at position 2. It is an organochlorine compound and a member of imidazolines.

Names & identifiers

Preferred name: 2-(chloromethyl)-4,5-dihydro-1H-imidazole
IUPAC: 2-(chloromethyl)-4,5-dihydro-1H-imidazole
English name: 2-(Chloromethyl)-2-imidazoline
Molecular formula: C4H7ClN2
Molecular weight: 118.56

Names & synonyms

2-(chloromethyl)-4,5-dihydro-1H-imidazole50342-08-02-(CHLOROMETHYL)-4,5-DIHYDROIMIDAZOLEQZ676EE9GPCHEBI:53552RefChem:10615222-(CHLOROMETHYL)-2-IMIDAZOLINE2-CHLOROMETHYLIMIDAZOLINE1H-Imidazole, 2-(chloromethyl)-4,5-dihydro-1H-imidazole, 2-(chloromethyl)-4,5-dihydro-, hydrochlorideUNII-QZ676EE9GP2-chloromethyl-2-imidazoline

Show more names

PhentolamineImpurity5HClPhentolamine Impurity 2 (Phentolamine Mesilate EP Impurity B)Phentolamine Impurity 2 Hydrochloride (Phentolamine Mesilate EP Impurity B Hydrochloride )

SCHEMBL1001560DTXSID20330078YFBPRBZDQSMTKG-UHFFFAOYSA-NALBB-015071Phentolamine Mesylate EP Impurity BAKOS003587374Phentolamine mesilate impurity B [EP]DB-050074

Database identifiers

CAS: 50342-08-0
PubChem CID: 426328
DTXSID: DTXSID20330078
ChEBI: CHEBI:53552
UNII: QZ676EE9GP
Nikkaji: J1.877.552B

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 24.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 89.7

Physicochemical properties

Melting point: 72 · 72-73 ºC
Boiling point: 258 · 258 ºC
Density: 1.36 · 1.36
Flash point: 110 · 110 ºC
FDA UNII: 676 EE9GP · QZ676EE9GP

Chemistry & industry

Upstream & downstream products

Downstream products

Phentolamine

Suppliers23 total

苏州道澜生物医药科技有限公司15952404857 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

Additional notes

DefinitionChEBI: 2-(chloromethyl)-4,5-dihydroimidazole is an imidazoline that is 4,5-dihydroimidazole bearing a chloromethyl substituent at position 2. It is a member of imidazolines and an organochlorine compound.