(2-chloropropyl)dimethylamine hydrochloride

• ChemBase ID: 74394
• Molecular Formular: C5H13Cl2N
• Molecular Mass: 158.06942
• Monoisotopic Mass: 157.04250478
• SMILES: N(CC(C)Cl)(C)C.Cl
• Canonical SMILES: CN(CC(Cl)C)C.Cl
• InChI: InChI=1S/C5H12ClN.ClH/c1-5(6)4-7(2)3;/h5H,4H2,1-3H3;1H
• InChIKey: OCWGRWAYARCRTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloropropyl)dimethylamine hydrochloride
• IUPAC Traditional name: (2-chloropropyl)dimethylamine hydrochloride
• Synonyms: β-(Dimethylamino)isopropyl chloride hydrochloride; 2-(Dimethylamino)isopropyl chloride hydrochloride; 2-Chloro-1-(dimethylamino)propane hydrochloride; N-(2-Chloropropyl)dimethylamine hydrochloride; 2-Chloro-N,N-dimethylpropylamine hydrochloride; 2-Chloro-N,N-dimethylpropylamine; β-DIMETHYLAMINOISOPROPYL CHLORIDE HYDROCHLORIDE; 2-Chloro-N,N-dimethylpropylamine hydrochloride 98%; 2-Chloro-1-dimethylaminopropane hydrochloride; 2-Chloro-N,N-dimethylpropylamine hydrochloride; 2-Dimethylaminoisopropyl chloride hydrochloride; β-(二甲基氨基)异丙基氯 盐酸盐; 2-(二甲基氨基)异丙基氯 盐酸盐; 2-氯-1-(二甲基氨基)丙烷 盐酸盐; N-(2-氯丙基)二甲胺 盐酸盐; 2-氯-N,N-二甲基丙胺 盐酸盐; 2-二甲基氨异丙基氯 盐酸盐

Database IDs

• CAS Number: 4584-49-0
• EC Number: 224-971-7
• MDL Number: MFCD00012534
• Beilstein Number: 3670215
• PubChem SID: 162039313; 24854630; 24893435
• PubChem CID: 94294

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.3413653
• LogD (pH = 7.4): 0.43254375
• Log P: 1.2712344
• Molar Refractivity: 33.7502 cm^3
• Polarizability: 13.282926 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187-190 °C; 187-190 °C(lit.); 190-193°C; 191-195°C

Safety Information

• Storage Warning: Hygroscopic
• RTECS: TY1225000
• European Hazard Symbols: X; Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; R:36/37/38
• Safety Statements: 26; 26-36/37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H302-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥97.0% (AT); 98%
• Grade: purum
• Linear Formula: CH3CHClCH2N(CH3)2 · HCl

DETAILS

MP Biomedicals - 05202643

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D142409

Packaging
100 g in poly bottle