Basic information
- CAS
16219-99-1- Standard SMILES
CN(N=O)c1ccncc1- InChIKey
CNXCLASNZDZCBC-UHFFFAOYSA-N- Molecular formula
- C6H7N3O
- Average molar mass
- 137.14 g/mol
- Monoisotopic mass
- 137.05891186
Overview
structure
Names & identifiers
- Preferred name
- 4-Nitrosomethylaminopyridine
- IUPAC
- N-methyl-N-pyridin-4-ylnitrous amide
- English name
- 4-nitrosomethylaminopyridine
- Molecular formula
- C6H7N3O
- Molecular weight
- 137.14
Names & synonyms
4-Nitrosomethylaminopyridine16219-99-14-Pyridinamine, N-methyl-N-nitroso-N-Methyl-N-nitroso-4-pyridinamineYBM9FX3ULYN-Nitroso-N-methyl-4-aminopyridineDTXSID4021052RefChem:100162DTXCID401052N-Methyl-N-(pyridin-4-yl)nitrous amideN-methyl-N-nitrosopyridin-4-amineN-methyl-N-pyridin-4-ylnitrous amide
Show more names
N-Methyl-N-nitropyridine-4-amine4-(Nitrosomethyl)pyridin-2-amine
N-Methyl-N-(4-pyridyl)nitrous AmideN-Methyl-N-nitroso-4-aminopyridinePyridine, 4-(methylnitrosamino)-BRN 0472145Pyridine, 4-nitrosomethylamino-4-[Methyl(nitroso)amino]pyridineIsoniazid Impurity 8UNII-YBM9FX3ULY
Database identifiers
- CAS
16219-99-1- PubChem CID
- 146271
- DTXSID
DTXSID4021052- ChEMBL
CHEMBL166205- UNII
- YBM9FX3ULY
- EC Number
- 855-496-9
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 286.6 · 286.6±22.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 2.94 · 2.94±0.10(Predicted)
- FDA UNII
- 9 FX3ULY · YBM9FX3ULY
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H351-H301
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 200 mg/kg JJIND8 62,153,1979
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P318, P321, P330, P337+P317, 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. 3 (100%)
Safety data
- Toxicity
- LD50 orl-rat: 200 mg/kg JJIND8 62,153,1979
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07,GHS06
- Hazard statements
- H319-H351-H301
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers37 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [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]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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