N-Nitroso-N-(p-methoxybenzyl)methylamine
Basic information
- CAS
84174-20-9- Standard SMILES
COc1ccc(CN(C)N=O)cc1- InChIKey
PBYJHBYYEJFZIL-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- N-Nitroso-N-(p-methoxybenzyl)methylamine
- IUPAC
- N-[(4-methoxyphenyl)methyl]-N-methylnitrous amide
- English name
- N-Methyl-N-nitroso-p-methoxybenzylamine
- Molecular weight
- 0
Names & synonyms
84174-20-9N-Methyl-N-nitroso-p-methoxybenzylamineBENZYLAMINE, p-METHOXY-N-METHYL-N-NITROSO-AXJ54JW23J[(4-METHOXYPHENYL)METHYL](METHYL)NITROSOAMINEN-Nitroso-N-(4-methoxybenzyl)methylamineN-(4-methoxybenzyl)-N-methylnitrous amide((4-Methoxyphenyl)methyl)(methyl)nitrosoamineCCRIS 2568N-Nitroso-N-(p-methoxybenzyl)methylaminep-Methoxy-N-methyl-N-nitrosobenzylamineN-Nitrosomethyl-4-methoxybenzylamine
Show more names
(4-methoxyphenyl)methyl](methyl)nitrosoamineN- ( 4 - methoxybenzyl ) -N - methylnitrous amide
BRN 1819051(4-Methoxybenzyl)methylnitrosamineN-[(4-methoxyphenyl)methyl]-N-methylnitrous amideMFCD01732450UNII-AXJ54JW23JCHEMBL106941SCHEMBL29049161DTXSID70879528
Database identifiers
- CAS
84174-20-9- PubChem CID
- 55202
- DTXSID
DTXSID70879528- ChEMBL
CHEMBL106941- UNII
- AXJ54JW23J
- EC Number
- 117-569-7
- Nikkaji
- J66.055H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
LogP1.62
Physicochemical properties
- FDA UNII
- 54 JW23J · AXJ54JW23J
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
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Compound notes
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