Basic information
- CAS
55090-44-3- Standard SMILES
CCCCCCCCCCCCN(C)N=O- InChIKey
QPUKANZXOGADOB-UHFFFAOYSA-N- Molecular formula
- C13H28N2O
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.22016352
Overview
product of reaction of dimethyl-n-dodecylamine with nitrous acid
Names & identifiers
- Preferred name
- N-Methyl-N-nitroso-1-dodecanamine
- IUPAC
- N-dodecyl-N-methylnitrous amide
- English name
- N-nitrosomethyldodecylamine
- Molecular formula
- C13H28N2O
- Molecular weight
- 228.37
Names & synonyms
55090-44-3N-Nitroso-N-methyl-N-dodecylamineNmddaN-Nitrosomethyldodecylamine1-Dodecanamine, N-methyl-N-nitroso-N-Methyl-N-nitroso-1-dodecanamineNitrosomethyl-n-dodecylamineMDNAUU5MN48QBFN-nitrosododecylmethylamineDTXSID4021000RefChem:830859
Show more names
NITROSOMETHYLDODECYLAMINEN-DODECYLMETHYLNITROSAMINEN-NITROSOMETHYL-N-DODECYLAMINEN-Nitroso-N-methyl-1-dodecanamine
DTXCID101000N-dodecyl-N-methylnitrous amideN-Dodecyl-N-methylnitrosamineN-Methyl-N-dodecylnitrosamineN-Methyl-N-nitrosolaurylamineLaurylamine, N-methyl-N-nitroso-N-Nitroso-N-methyl-N-dodecylaminDODECYLAMINE, N-METHYL-N-NITROSO-
Database identifiers
- CAS
55090-44-3- PubChem CID
- 41320
- DTXSID
DTXSID4021000- ChEMBL
CHEMBL349137- UNII
- UU5MN48QBF
- Nikkaji
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
LogP2.18
Physicochemical properties
- Boiling point
- 370.19 °C · 370.19°C (rough estimate)
- Density
- 0.9327 · 0.9327 (rough estimate)
- refractive index
- 1.591 · 1.5910 (estimate)
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- pka
- -3.45 · -3.45±0.70(Predicted)
- color
- Pale Yellow to Pale Brown
- FDA UNII
- 5 MN48QBF · UU5MN48QBF
- Proposition 65 List
- N-Nitrosomethyl-n-dodecylamine
- EPA Substance Registry System
- 1 · 1-Dodecanamine, N-methyl-N-nitroso- (55090-44-3)
- Toxicity
- 1 mg/plate · mma-sat 1 mg/plate MUREAV 51,319,78
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationHazard Traits - Carcinogenicity
Hazards SummaryCauses hemorrhage in oral lethal-dose studies of hamsters; [RTECS] See NITROSAMINES.
Safety data
- Toxicity
- mma-sat 1 mg/plate MUREAV 51,319,78
Chemistry & industry
Uses & manufacturing
UsesProduct of reaction of dimethyl-n-dodecylamine with nitrous acid. [ChemIDplus] Found in cosmetics; [ExPub: EC: SCCS]
Applications
UsesN-Nitroso-N-methyl-N-dodecylamine is a nitroso compound with carcinogenic potency.
Suppliers17 total
艾吉析科技（上海）有限公司17717235263 · [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]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
成都大道三灵生物科技有限公司18108108965 18108108965 · [email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海红乐生物科技有限公司021-56145923; 4001631568 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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