Basic information
- CAS
18559-18-7- Standard SMILES
COc1cccc(N(C)N=O)c1- InChIKey
QTULLGSCURLCIE-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422757
Names & identifiers
- Preferred name
- m-Anisidine, N-methyl-N-nitroso-
- IUPAC
- N-(3-methoxyphenyl)-N-methylnitrous amide
- English name
- Benzenamine, 3-methoxy-N-methyl-N-nitroso-
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
N-Methyl-N-nitroso-m-anisidinem-ANISIDINE, N-METHYL-N-NITROSO-BRN 18417403-Methoxy-N-methyl-N-nitrosobenzenamineBenzenamine, 3-methoxy-N-methyl-N-nitroso-DTXSID501717944-16-00-00879 (Beilstein Handbook Reference)RefChem:351529DTXCID0094285Benzenamine, 3-methoxy-N-methyl-N-nitroso-(9CI)18559-18-7N-(3-methoxyphenyl)-N-methylnitrous amide
Show more names
(3-Methoxyphenyl)methylnitrosamineSCHEMBL17001112CCG-2062SY375669
Database identifiers
- CAS
18559-18-7- PubChem CID
- 29136
- DTXSID
DTXSID50171794- Nikkaji
- J3.366.338B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 98 °C · 98 °C(Press: 0.1 Torr)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- -2.18 · -2.18±0.50(Predicted)
Chemistry & industry
Suppliers3 total
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]
常州翔龙医药科技有限公司18661161657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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