N-Nitrosobis(2-hydroxypropyl)amine

Base Information

• Chemical Name: N-Nitrosobis(2-hydroxypropyl)amine
• CAS No.: 53609-64-6
• Molecular Formula: C₆H₁₄N₂O₃
• Molecular Weight: 162.189
• Hs Code.: 2928000090
• European Community (EC) Number: 882-949-8
• UNII: 4J072HB2ND
• DSSTox Substance ID: DTXSID7021021
• Nikkaji Number: J76.240G
• Wikidata: Q27225150
• ChEMBL ID: CHEMBL350868
• Mol file: 53609-64-6.mol

Synonyms:1,1'-(nitrosoimino)bis(2-propanol);2,2'-BHP;2,2'-dihydroxy-di-n-propylnitrosamine;2,2'-dihydroxydipropylnitrosamine;2-propanol, 1,1'-(nitrosoimino)bis-;DHPN;di(2-hydroxypropyl)nitrosamine;diisopropanolnitrosamine;N-bis(2-hydroxypropyl)nitrosamine;N-nitroso-bis(2-hydroxypropyl)amine;N-nitrosobis(2-hydroxypropyl)amine;N-nitrosodiisopropanolamine;nitroso-di-isopropanolamine;nitrosobis(2-hydroxypropyl)amine

Chemical Property of N-Nitrosobis(2-hydroxypropyl)amine

Chemical Property:

• Vapor Pressure: 2.26E-06mmHg at 25°C
• Refractive Index: 1.4650 (estimate)
• Boiling Point: 352.4°C at 760 mmHg
• PKA: 13.90±0.20(Predicted)
• Flash Point: 166.9°C
• PSA: 73.13000
• Density: 1.2g/cm³
• LogP: -0.26860
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 162.10044231
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

98%Min ^*data from raw suppliers

N-Nitrosobis(2-hydroxypropyl)amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 45
• Safety Statements: 53-23-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrosamines
• Canonical SMILES: CC(CN(CC(C)O)N=O)O
• Uses: It shows carcinogenicity in the duct cells.