Basic information
- CAS
924-46-9- Standard SMILES
CCCN(C)N=O- InChIKey
ITBDKUCVKYSWMF-UHFFFAOYSA-N- Molecular formula
- C4H10N2O
- Average molar mass
- 102.14 g/mol
- Monoisotopic mass
- 102.07931295
Overview
N-Nitrosomethyl-n-propylamine can cause cancer according to an independent committee of scientific and health experts.
Names & identifiers
- Preferred name
- Methylpropylnitrosamine
- IUPAC
- N-methyl-N-propylnitrous amide
- English name
- Methyl N-propyl nitrosamine
- Molecular formula
- C4H10N2O
- Molecular weight
- 102.14
Names & synonyms
Methylpropylnitrosamine924-46-9NitrosomethylpropylamineMethylpropylnitrosoamineN-Methyl-N-nitroso-1-propanamineN-Nitrosomethyl-N-propylaminePROPYLAMINE, N-METHYL-N-NITROSO-15FH0L90LHDTXSID90238991RefChem:164016DTXCID40161482N-methyl-N-propylnitrous amide
Show more names
MPNPRSS27Serine protease 27methyl-nitroso-propyl-amineMethyl N-propyl nitrosamine
methyl(nitroso)propylamineN-Methyl-N-propylnitrosamine1-Propanamine, N-methyl-N-nitroso-Methyl-n-propylnitrosamineNitrosomethyl-n-propylamineN-Methyl-N-nitrosopropylamineN-Nitroso methyl propylamineCCRIS 406
Database identifiers
- CAS
924-46-9- PubChem CID
- 13545
- DTXSID
DTXSID90238991- ChEMBL
CHEMBL165385- UNII
- 15FH0L90LH
- EC Number
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 55.7
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
SpringerMaterials PropertiesHindering potential
LogP0.61
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 191.46 °C · 191.46°C (rough estimate)
- Density
- 0.9 g/mL · 0.9 g/mL(lit.)
- refractive index
- 1.4386 · 1.4386 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform, Ethyl Acetate (Slightly)
- form
- Oil
- pka
- -3.4 · -3.40±0.70(Predicted)
- color
- Pale Yellow
- Stability
- Light sensitive
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
H350 (97.5%): May cause cancer [Danger Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationHazard Traits - Carcinogenicity
Hazards SummaryCauses other liver changes, inflammation, necrosis, or scarring of the bladder, and hemorrhage in subcutaneous lethal-dose studies of hamsters; [RTECS] Possible carcinogen; [Sigma-Aldrich MSDS] See NITROSAMINES.
Hazard Classes and CategoriesCarc. 1B (97.5%)
Safety data
- risk_code
- 45-46
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- T
- safety_code
- 53-23-36/37/39-45
- Hazard statements
- H350
Chemistry & industry
Applications
UsesMethylpropylnitrosamine is used in biological studies as human liver microsomal cytochrome P-450 enzymes which are involved in the bioactivation of procarcinogens detected by umu gene response in Salmonella typhimurium TA 1535/pSK1002.
Suppliers13 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
TLC梯尔希（南京）药物研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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