(2-chloroethyl)diethylamine hydrochloride

• ChemBase ID: 74395
• Molecular Formular: C6H15Cl2N
• Molecular Mass: 172.096
• Monoisotopic Mass: 171.05815485
• SMILES: N(CC)(CCCl)CC.Cl
• Canonical SMILES: ClCCN(CC)CC.Cl
• InChI: InChI=1S/C6H14ClN.ClH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H
• InChIKey: RAGSWDIQBBZLLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloroethyl)diethylamine hydrochloride
• IUPAC Traditional name: N,N-diethyl-2-chloroethylamine hydrochloride
• Synonyms: (2-Chloroethyl)diethylamine Hydrochloride; 1-Diethylamino-2-chloroethane Hydrochloride; 2-(Diethylamino)-1-chloroethane Hydrochloride; Diethyl(2-chloroethyl)amine Hydrochloride; Diethylaminoethyl Chloride; 2-Chloro-N,N-diethylethylamine Hydrochloride; 2-Chloro-N,N-diethylethanamine hydrochloride; N-(2-Chloroethyl)diethylamine hydrochloride; 2-Chloro-N,N-diethylethylamine hydrochloride; 2-(Diethylamino)ethyl chloride hydrochloride; N-(2-chloroethyl)-N,N-diethylamine hydrochloride; 2-(Diethylamino)ethyl chloride hydrochloride; 1-Chloro-2-(diethylamino)ethane hydrochloride; 2-Chloro-N,N-diethylethylamine hydrochloride 98%; 2-Chlorotriethylamine hydrochloride; 2-Chloro-N,N-diethylethylamine hydrochloride; β-CHLOROETHYLDIETHYLAMINE HYDROCHLORIDE; 2-(二乙基氨基)乙基氯 盐酸盐; 2-(二乙基氨基)乙基氯 盐酸盐; 2-氯代三乙胺 盐酸盐; 2-二乙氨基氯乙烷 盐酸盐

Database IDs

• CAS Number: 869-24-9
• EC Number: 212-786-4
• MDL Number: MFCD00012519
• Beilstein Number: 3591991
• PubChem SID: 24859118; 162039314; 24894220
• PubChem CID: 13363

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.280223
• LogD (pH = 7.4): 0.47621664
• Log P: 1.5682752
• Molar Refractivity: 38.8286 cm^3
• Polarizability: 15.121751 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: White Solid
• Melting Point: 204-211°C (dec); 206-210°C; 208 - 210°C; 208-210 °C(lit.); 208-212 °C; 208-212°C
• Hydrophobicity(logP): 1.668

Safety Information

• Storage Condition: Hygroscopic, Refrigerator, Under Inert Atmosphere
• Storage Warning: Moisture Sensitive; Toxic/Corrosive/Mutagenic/Moisture Sensitive
• RTECS: YE1050000
• European Hazard Symbols: Nature polluting (N); Toxic (T); Highly toxic (T+)
• UN Number: 2811; UN2928
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 23/24/25-36/37/38; 24-26/28-34-68-51/53
• Safety Statements: 26-28-36/37-45-61; 26-36-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300 +H310 + H330-H315-H318-H335; H300-H310-H330-H314-H318-H341-H411-H401
• GHS Precautionary statements: P260-P264-P280-P284-P301 + P310-P302 + P350; P260-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Purity: ≥98.0% (AT); 95%; 98%; 98+%; 99%
• Grade: purum
• Salt Data: HCl
• Linear Formula: (C2H5)2NCH2CH2Cl · HCl

DETAILS

MP Biomedicals - 05213840

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D87201

Packaging
1 kg in poly bottle
100 g in poly bottle