Basic information
- CAS
85502-23-4- Standard SMILES
CN(CCC=O)N=O- InChIKey
CQGSPCLZUXSVHE-UHFFFAOYSA-N- Molecular formula
- C4H8N2O2
- Average molar mass
- 116.12 g/mol
- Monoisotopic mass
- 116.0585775
Overview
3-(N-Nitrosomethylamino)propionaldehyde is an aldehyde.
Names & identifiers
- Preferred name
- 3-(Methylnitrosoamino)propanal
- IUPAC
- N-methyl-N-(3-oxopropyl)nitrous amide
- English name
- 3-methylnitrosaminopropionaldehyde
- Molecular formula
- C4H8N2O2
- Molecular weight
- 116.12
Names & synonyms
85502-23-43-(N-Nitrosomethylamino)propionaldehyde3-(Methylnitrosoamino)propanal3-MethylnitrosaminopropionaldehydeX4C3WCP5XFPropanal, 3-(methylnitrosoamino)-RefChem:5042743-(Methylnitrosamino)propanalN-methyl-N-(3-oxopropyl)nitrous amide3-(Methylnitrosamino)propionaldehyde3-(Methylnitrosoamino)-propanalCCRIS 4384
Show more names
Ioversol Impurity 35Ibandronate Sodium Impurity 93-(MethylnitrosoaMino)propionaldehyde3-(METHYLNITROSAMINO)PROPRIONALDEHYDE3-(N-NITROSOMETHYL-AMINO)PROPIONALDEHYDE
DTXSID501006062starbld0005965UNII-X4C3WCP5XFSCHEMBL29044948CHEBI:82514MSK170176AKOS006276212C19484
Database identifiers
- CAS
85502-23-4- PubChem CID
- 98533
- DTXSID
DTXSID501006062
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 84.1
Physicochemical properties
- Boiling point
- 217.15 °C · 217.15°C (rough estimate)
- Density
- 1.2829 · 1.2829 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless to Pale Yellow
- Stability
- Hygroscopic
- FDA UNII
- 4 C3WCP5XF · X4C3WCP5XF
- IARC
- 3 · 3 (Vol. Sup 7, 85) 2004
- Toxicity
- 10 mmol/L · mic-bac-esc 10 mmol/L CRNGDP 12,1161,91
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Carcinogen Classification
3-(N-Nitrosomethylamino)propionaldehyde
Group 3: Not classifiable as to its carcinogenicity to humans
Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)
2004
2003
Safety data
- Toxicity
- mic-bac-esc 10 mmol/L CRNGDP 12,1161,91
Chemistry & industry
Applications
Uses3-(Methylnitrosamine)propionaldehyde (MNPA) was detected for the 1st time in the saliva of betel quid chewers and is a potent carcinogen. It exhibits higher cytotoxicity than Nitrosoguvacine (NGC), Nitrosoguvacoline (NG) and 3-(Methylnitrosamino)propionitrile (MNPN).
Uses3-(Methylnitrosamine)propionaldehyde (MNPA) Nitrosoguvacoline (NG) and 3-(Methylnitrosamino)propionitrile (MNPN).
Suppliers12 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Aladdin Scientific[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]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [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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