Benzylamine, N-ethyl-N-nitroso-
Basic information
- CAS
20689-96-7- Standard SMILES
CCN(Cc1ccccc1)N=O- InChIKey
FEMRUGMGKZBXOL-UHFFFAOYSA-N- Molecular formula
- C9H12N2O
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.09496301
Names & identifiers
- Preferred name
- Benzylamine, N-ethyl-N-nitroso-
- IUPAC
- N-benzyl-N-ethylnitrous amide
- English name
- N-Nitroso-N-ethyl-benzylamine
- Molecular formula
- C9H12N2O
- Molecular weight
- 164.2
Names & synonyms
20689-96-7BENZYLAMINE, N-ETHYL-N-NITROSO-BENZYL(ETHYL)NITROSOAMINEN-Ethyl-N-nitrosobenzylamineN-Nitroso-N-ethylbenzylamineN-Nitroso-N-ethylbenzylaminN-Nitroso-N-ethylbenzylamin [German]BRN 2641123DTXSID30174748RefChem:566933DTXCID6097239870-716-3
Show more names
Roxadustat Impurity 18EthylbenzylnitrosamineBenzyl ethylnitrosamineRivaroxaban Impurity 138Roxadustat Nitroso Impurity 1N-Nitroso Etilefrine EP Impurity F
N-benzyl-N-ethylnitrous amideN-nitroso-n-ethyl-benzylamineN-Ethyl-N-nitrosobenzenemethanamineN-Nitroso-N-Ethyl?Benzylamine1-benzyl-1-ethyl-2-oxohydrazineBenzenemethanamine, N-ethyl-N-nitroso-AKN8QR6A5RN-benzyl-N-ethylnitrousamide
Database identifiers
- CAS
20689-96-7- PubChem CID
- 30228
- DTXSID
DTXSID30174748- ChEMBL
CHEMBL165256- UNII
- AKN8QR6A5R
- EC Number
- 870-716-3
- Nikkaji
- J36.100C
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)
- pka
- -4.53 · -4.53±0.70(Predicted)
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H351
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-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
H301 (100%): Toxic 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 3 reports by companies from 2 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
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- Hazard statements
- H301-H351
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Suppliers
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Related reactions
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Compound notes
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