(3-chloropropyl)dimethylamine hydrochloride

• ChemBase ID: 74356
• Molecular Formular: C5H13Cl2N
• Molecular Mass: 158.06942
• Monoisotopic Mass: 157.04250478
• SMILES: N(CCCCl)(C)C.Cl
• Canonical SMILES: ClCCCN(C)C.Cl
• InChI: InChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
• InChIKey: LJQNMDZRCXJETK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloropropyl)dimethylamine hydrochloride
• IUPAC Traditional name: (3-chloropropyl)dimethylamine hydrochloride
• Synonyms: γ-DIMETHYLAMINOPROPYL CHLORIDE HYDROCHLORIDE; 3-Dimethylaminopropyl chloride hydrochloride; 3-Chloro-N,N-dimethylpropylamine hydrochloride; N,N-Dimethyl(3-chloropropyl)amine hydrochloride; 3-Dimethylamino-1-propyl chloride hydrochloride; 3-chloro-N,N-dimethylpropan-1-amine hydrochloride; 1-Chloro-3-dimethylaminopropane hydrochloride; 3-Dimethylaminopropyl chloride hydrochloride; (3-chloropropyl)dimethylamine hydrochloride; 3-氯-N,N-二甲基丙胺 盐酸盐; N,N-二甲基(3-氯丙基)胺 盐酸盐; 3-二甲氨基丙基氯 盐酸盐; 3-二甲基氨基丙基氯 盐酸盐

Database IDs

• CAS Number: 5407-04-5
• EC Number: 226-467-2
• MDL Number: MFCD00012521
• Beilstein Number: 3670046
• PubChem SID: 24893444; 162039275; 24864549
• PubChem CID: 94308

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.0992334
• LogD (pH = 7.4): -0.38915446
• Log P: 0.914619
• Molar Refractivity: 34.1968 cm^3
• Polarizability: 13.281594 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138-144°C; 138-144°C; 140-143 °C; 140-143 °C(lit.); 141 - 144°C
• Hydrophobicity(logP): 0.939

Safety Information

• Storage Warning: Harmful/Irritant/Hygroscopic; Hygroscopic
• RTECS: UI0209950
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26; 26-36/37
• 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, Gloves

Product Information

• Purity: ≥98.0% (AT); 95%; 95+%; 96%; 98%
• Grade: purum
• Salt Data: HCl
• Linear Formula: (CH3)2N(CH2)3Cl · HCl

DETAILS

MP Biomedicals - 05211246

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D145203

Packaging
100 g in poly bottle