Basic information
- CAS
13256-11-6- Standard SMILES
CN(CCc1ccccc1)N=O- InChIKey
AVESHLVLHJKUKQ-UHFFFAOYSA-N- Molecular formula
- C9H12N2O
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.09496301
Names & identifiers
- Preferred name
- N-methyl-N-nitrosobenzeneethanamine
- IUPAC
- N-methyl-N-(2-phenylethyl)nitrous amide
- English name
- nitrosomethyl-(2-phenylethyl)amine
- Molecular formula
- C9H12N2O
- Molecular weight
- 164.2
Names & synonyms
13256-11-6Nitrosomethyl-(2-phenylethyl)aminePhenethylamine, N-methyl-N-nitroso-N-methyl-N-nitrosobenzeneethanamineN-Nitroso-N-methyl-2-phenylethylamineMethylphenylethylnitrosamineDYK7894FDFRefChem:818421Benzeneethanamine, N-methyl-N-nitroso-N-methyl-N-phenethylnitrous amideN-methyl-N-(2-phenylethyl)nitrous amideN-methyl-N-nitroso-Benzeneethanamine
Show more names
RMA-7071,3-dimethyl-16-nitrosoureaPhenylpropylmethylamine ImpurityN-Nitroso N-Methyl-PhenethylaminePhenylpropylmethylamine Impurity 1
Nitroso-N-methyl-N-(2-phenyl)ethylamineMETHYL(NITROSO)(2-PHENYLETHYL)AMINEMethyl-phenylethyl-nitrosamineN-methyl-N-nitroso-2-phenylethanamineN-Methyl-N-nitrosophenethylamineMethylphenethylnitrosamineBRN 0640408Methyl(2-phenylaethyl)nitrosamin [German]
Database identifiers
- CAS
13256-11-6- PubChem CID
- 83271
- DTXSID
DTXSID9021003- ChEMBL
CHEMBL349620- UNII
- DYK7894FDF
- EC Number
- 851-912-8
- Nikkaji
- J34.549K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Boiling point
- 291.67 °C · 291.67°C (rough estimate)
- Density
- 1.1062 · 1.1062 (rough estimate)
- refractive index
- 1.5373 · 1.5373 (estimate)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- -3.52 · -3.52±0.70(Predicted)
- color
- Colourless to Pale Yellow
- CAS DataBase Reference
- 13256 · 13256-11-6
- FDA UNII
- 7894 FDF · DYK7894FDF
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300-H350
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- Hazard statements
- H300-H350
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
UsesN-Methyl-N-nitroso-benzeneethanamine is a useful research chemical found to have organotropic carcinogenic effects.
Suppliers22 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [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]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
Related reactions
2 records
Compound notes
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