Basic information
- CAS
53609-64-6- Standard SMILES
CC(O)CN(CC(C)O)N=O- InChIKey
MNIGYIKCFSPQRJ-UHFFFAOYSA-N- Molecular formula
- C6H14N2O3
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.10044231
Overview
N,N-bis(2-hydroxypropyl)nitrosamine is a nitrosamine that is dipropylamine in which the hydrogen attached to the nitrogen has been replaced by a nitroso group. It is a genotoxic carcinogen, targeting the lung, liver, thyroid, and kidney. It has a role as a carcinogenic agent. It is a diol, a secondary alcohol and a nitrosamine.
Names & identifiers
- Preferred name
- N-Bis(2-hydroxypropyl)nitrosamine
- IUPAC
- N,N-bis(2-hydroxypropyl)nitrous amide
- English name
- Diisopropanolnitrosamine
- Molecular formula
- C6H14N2O3
- Molecular weight
- 162.19
Names & synonyms
53609-64-6N-Nitrosobis(2-hydroxypropyl)amineDiisopropanolnitrosamineN-NitrosodiisopropanolamineN-Bis(2-hydroxypropyl)nitrosamine2-Propanol, 1,1'-(nitrosoimino)bis-Di(2-hydroxypropyl)nitrosamineDIPNN,N-Di-(2-hydroxypropyl)nitrosamine2,2'-Dihydroxy-di-n-propylnitrosoamine2,2'-DihydroxydipropylnitrosamineN-Nitroso-N,N-di(2-hydroxypropyl)amine
Show more names
bhp1,1'-(NitrosoiMino)bis-1,1’-nitrosoiminodi-2-propanoBIS(2-HYDROXYPROPYL)NITROSAMINE1,1’-(nitrosoimino)bis-2-propano2,2’-bishydroxypropylnitrosamine
4J072HB2ND1,1'-(nitrosoimino)bis(2-propanol)N-nitroso-bis(2-hydroxypropyl)aminenitroso-di-isopropanolamine2,2'-BHP2,2'-dihydroxy-di-n-propylnitrosamineRefChem:134064DHPN
Database identifiers
- CAS
53609-64-6
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
Physical DescriptionYellow viscous liquid; [OSHA]
Physicochemical properties
- Boiling point
- 288.88 °C · 288.88°C (rough estimate)
- Density
- 1.2266 · 1.2266 (rough estimate)
- refractive index
- 1.465 · 1.4650 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- viscous liquid
- pka
- 13.9 · 13.90±0.20(Predicted)
- color
- yellow
- FDA UNII
- 4 J072HB2ND · 4J072HB2ND
- EPA Substance Registry System
- N-Nitrosodiisopropanolamine (53609-64-6)
- Symbol(GHS)
- 8 · GHS08,GHS06
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P262, P264, P270, P280, P301+P316, P302+P352, P316, P318, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazards SummaryExperimental carcinogen. [ChemIDplus] Possible carcinogen; Targets the lungs and pancreas; [OSHA] See NITROSAMINES.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- rtecs
- JL9650000
- risk_code
- 45
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- hazard_code
- T
- safety_code
- 53-23-36/37/39-45
- Hazard statements
- H341-H301-H351-H311
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P201-P202-P281-P308+P313-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Uses & manufacturing
UsesFound in cosmetics; [ExPub: EC: SCCS]
Applications
UsesIt shows carcinogenicity in the duct cells.
Suppliers46 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
2 records
Compound notes
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