Basic information
- CAS
60599-38-4- Standard SMILES
CC(=O)CN(CC(C)=O)N=O- InChIKey
AKRYBBWYDSDZHG-UHFFFAOYSA-N- Molecular formula
- C6H10N2O3
- Average molar mass
- 158.16 g/mol
- Monoisotopic mass
- 158.06914219
Names & identifiers
- Preferred name
- 1,1'-(Nitrosoimino)bis(2-propanone)
- IUPAC
- N,N-bis(2-oxopropyl)nitrous amide
- English name
- Triglycerol monolaurate
- Molecular formula
- C6H10N2O3
- Molecular weight
- 158.16
Names & synonyms
N-Nitrosobis(2-oxopropyl)amine60599-38-4Nitrosobis(2-oxopropyl)amineDi-oxo-di-n-propylnitrosamine2,2'-Dioxopropyl-N-propylnitrosamineDTXSID2021022N,N-Di(2-oxopropyl)nitrosamineBis-(2-oxopropyl)-N-nitrosamine2-Propanone, 1,1'-(nitrosoimino)bis-2,2'-Dioxo-di-n-propylnitrosamineN-Nitroso-N,N-di(2-oxypropyl)amine2,2'-dioxopropylnitrosamine
Show more names
DOPNBOPN(nitrosoimino)di-acetonN-NitrosoiminobisacetoneNITROSO(2-OXOPROPYL)AMINENITROBIS(2-OXOPROPYL)AMINE
N-nitroso-2-oxopropylpropylamineDIPROPYLAMINE, 2,2'-DIOXO-N-NITROSO-DTXCID501022CHEBI:1346091,1'-(Nitrosoimino)bis[2-propanone]1,1'-(NITROSOIMINO)BIS(2-PROPANONE)NBOP2,2'-BOP
Database identifiers
- CAS
60599-38-4- PubChem CID
- 43371
- DTXSID
DTXSID2021022- ChEMBL
CHEMBL164394- ChEBI
CHEBI:134609- UNII
- H5C28SA7UB
- EC Number
- 882-886-6
- Nikkaji
- J76.241E
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 136 °C · 136 °C
- Boiling point
- 283.22 °C · 283.22°C (rough estimate)
- Density
- 1.3289 · 1.3289 (rough estimate)
- refractive index
- 1.501 · 1.5010 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), DMSO (Sparingly), Ethyl Acetate (Slightly)
- form
- Solid
- pka
- -10.18 · -10.18±0.70(Predicted)
- color
- White to Light Beige
- InChI
- 1S/C6H10N2O3/c1-5(9)3-8(7-11)4-6(2)10/h3-4H2,1-2H3
- InChIKey
- AKRYBBWYDSDZHG-UHFFFAOYSA-N
- SMILES
- CC(=O)CN(CC(C)=O)N=O
- FDA UNII
- 5 C28SA7UB · H5C28SA7UB
- UNSPSC Code
- 12352200 · 12352200
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Toxicity
- 250 mg/plate · mma-sat 250 mg/plate MUREAV 111,135,83
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Toxicity
- mma-sat 250 mg/plate MUREAV 111,135,83
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesTriglycerol monolaurate is a potent and selective pancreatic carcinogen in the Syrian golden hamster. This model has been used to study pancreatic cancer as chemically induced pancreatic neoplasms are morphologically similar to those found in man.
Suppliers11 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
北京沃凯生物科技有限公司010-62971590 18548936886 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西西化化学工业有限公司18161915376 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Additional notes
DefinitionChEBI: Nitrosobis(2-oxopropyl)amine is a nitrosamine that is iminodiacetone that is substituted by a nitroso group at the N-atom. It induces pancreatic ductal adenocarcinomas in Syrian golden hamsters (other rodents are not susceptible). It has a role as a carcinogenic agent. It is a nitrosamine and a ketone.
Related reactions
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Compound notes
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