(2-chloroethyl)dimethylamine hydrochloride

• ChemBase ID: 68444
• Molecular Formular: C4H11Cl2N
• Molecular Mass: 144.04284
• Monoisotopic Mass: 143.02685472
• SMILES: N(C)(C)CCCl.Cl
• Canonical SMILES: ClCCN(C)C.Cl
• InChI: InChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
• InChIKey: LQLJZSJKRYTKTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloroethyl)dimethylamine hydrochloride
• IUPAC Traditional name: dimethylaminoethyl chloride hydrochloride
• Synonyms: 2-Chloroethyldimethylamine hydrochloride; 1-Chloro-2-dimethylaminoethane hydrochloride; 2-(Dimethylamino)ethyl chloride hydrochloride; N-(2-Chloroethyl)dimethylamine hydrochloride; 2-Chloro-N,N-dimethylethylamine hydrochloride; 2-chloro-N,N-dimethylethanamine hydrochloride; β-CHLOROETHYLDIMETHYLAMINE HYDROCHLORIDE; 1-Chloro-2-(dimethylamino)ethane hydrochloride; N-(2-Chloroethyl)-N,N-dimethylammonium chloride; 2-Dimethylaminoethyl chloride hydrochloride; N-(2-chloroethyl)-N,N-dimethylamine hydrochloride; 1-氯-2-二甲基氨基乙烷 盐酸盐; 2-(二甲基氨基)乙基氯 盐酸盐; N-(2-氯乙基)二甲胺 盐酸盐; 2-氯-N,N-二甲基乙胺 盐酸盐; 2-二甲基氨乙基氯 盐酸盐

Database IDs

• CAS Number: 4584-46-7; 175135-09-8
• EC Number: 224-970-1
• MDL Number: MFCD00012516
• Beilstein Number: 3591234
• PubChem SID: 24893432; 162034175; 24854624
• PubChem CID: 11636816

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.5140041
• LogD (pH = 7.4): 0.23573531
• Log P: 0.8546593
• Molar Refractivity: 29.3314 cm^3
• Polarizability: 11.444192 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 201-204 °C; 201-204 °C(lit.); 204 - 206°C; 205-208°C
• Hydrophobicity(logP): 0.61

Safety Information

• Storage Warning: Hygroscopic; IRRITANT
• RTECS: KQ9020000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 22-24-36/37/38
• Safety Statements: 20-26-27-36/37-45-60; 26-36/37-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P312; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥98.0% (AT); 95%; 95+%; 98%; 98+%; 99%
• Grade: purum
• Salt Data: HCl
• Linear Formula: (CH3)2NCH2CH2Cl · HCl

DETAILS

MP Biomedicals - 05215815

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D141208

Packaging
100, 500 g in poly bottle
5 g in glass bottle