2-chloroethan-1-amine hydrochloride

• ChemBase ID: 74398
• Molecular Formular: C2H7Cl2N
• Molecular Mass: 115.98968
• Monoisotopic Mass: 114.99555459
• SMILES: NCCCl.Cl
• Canonical SMILES: NCCCl.Cl
• InChI: InChI=1S/C2H6ClN.ClH/c3-1-2-4;/h1-2,4H2;1H
• InChIKey: ONRREFWJTRBDRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloroethan-1-amine hydrochloride
• IUPAC Traditional name: chlorethamine hydrochloride
• Synonyms: 2-chloroethanamine hydrochloride; 2-Aminoethyl chloride hydrochloride; 2-Chloroethylamine hydrochloride; 2-Chloroethylamine hydrochloride; 2-Chloroethylamine hydrochloride 98%; 2-Chloroethylammonium chloride; 2-氨基乙基氯 盐酸盐; 2-氯乙胺 盐酸盐

Database IDs

• CAS Number: 870-24-6
• EC Number: 212-793-2
• MDL Number: MFCD00012887
• Beilstein Number: 3590304
• PubChem SID: 162039317; 24892570; 24853797
• PubChem CID: 9793737

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.8812065
• LogD (pH = 7.4): -1.6124485
• Log P: 0.03903098
• Molar Refractivity: 19.2621 cm^3
• Polarizability: 7.7792172 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140-150 °C; 140-150 °C(lit.); 140-150°C; 143-148°C

Safety Information

• Storage Warning: Hygroscopic
• RTECS: KR1800000
• European Hazard Symbols: Corrosive (C); Irritant (Xi); Harmful (Xn)
• UN Number: UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34-68; 36/37/38; 36/37/38-68
• Safety Statements: 26-36; 26-36/37; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H341; H315-H319-H335; H315-H319-H335-H341
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P281-P305 + P351 + P338; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (AT); 98%; 98+%; 99%
• Grade: purum
• Salt Data: HCl
• Linear Formula: ClCH2CH2NH2 · HCl

DETAILS

Sigma Aldrich - C40200

Packaging
100 g in poly bottle
5 g in glass bottle
Application
Derivatizing reagent for amino acids,1 dipeptides,1 and nucleotides.2