Basic information
- CAS
13256-23-0- Standard SMILES
CCN(Cc1ccncc1)N=O- InChIKey
HXKBADXWZNBJSW-UHFFFAOYSA-N- Molecular formula
- C8H11N3O
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.09021198
Names & identifiers
- Preferred name
- N-Ethyl-N-nitroso-4-pyridinemethanamine
- IUPAC
- N-ethyl-N-(pyridin-4-ylmethyl)nitrous amide
- English name
- N-Ethyl-N-nitroso-4-pyridinemethanamine
- Molecular formula
- C8H11N3O
- Molecular weight
- 165.19
Names & synonyms
13256-23-0N-Ethyl-N-nitroso-4-pyridinemethanamineRefChem:1091790Aethyl-4-picolylnitrosamin [German]N-ethyl-N-(pyridin-4-ylmethyl)nitrous amideN-Nitroso-4-picolylethylamine4-((Ethylnitrosamino)methyl)pyridineAethyl-4-picolylnitrosaminPyridine, 4-((ethylnitrosamino)methyl)-N-Nitroso Tropicamide EP Impurity AN-Ethyl-N-(4-pyridylmethyl)nitrous AmideCHEMBL168052
Show more names
4-[(Ethylnitrosoamino)methyl]pyridine4-Pyridinemethanamine, N-ethyl-N-nitroso-N-Nitroso Tropicamide EP Impurity A (N-Nitroso Tropicamide USP Related Compound A)
DTXSID80927721SY460315N-Ethyl-N-[(pyridin-4-yl)methyl]nitrous amideN-ethyl-N-(pyridin-4-ylmethyl)nitrous amide (Mixture of Isomers)
Database identifiers
- CAS
13256-23-0- PubChem CID
- 83272
- DTXSID
DTXSID80927721- ChEMBL
CHEMBL168052- Nikkaji
- J35.408B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 293.03 °C · 293.03°C (rough estimate)
- Density
- 1.1669 · 1.1669 (rough estimate)
- refractive index
- 1.74 · 1.7400 (estimate)
- pka
- 5.7 · 5.70±0.10(Predicted)
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 40 mg/kg ZEKBAI 69,103,67
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
- Toxicity
- LD50 orl-rat: 40 mg/kg ZEKBAI 69,103,67
Chemistry & industry
Suppliers5 total
湖北扬信医药科技有限公司15347293736 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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