Basic information
- CAS
34423-54-6- Standard SMILES
CCCCCCCCN(C)N=O- InChIKey
CCSLOEMFOMJAFM-UHFFFAOYSA-N- Molecular formula
- C9H20N2O
- Average molar mass
- 172.27 g/mol
- Monoisotopic mass
- 172.15756327
Overview
N-Nitrosomethyl-n-octylamine can cause cancer according to an independent committee of scientific and health experts.
Names & identifiers
- Preferred name
- N-Methyl-N-nitroso-1-octanamine
- IUPAC
- N-methyl-N-octylnitrous amide
- English name
- N-nitrosomethyloctylamine
- Molecular weight
- 172.27
Names & synonyms
N-Nitrosomethyloctylamine34423-54-61-Octanamine, N-methyl-N-nitroso-N-Methyl-N-nitroso-1-octanamine3G90K760MBRefChem:164018N-methyl-N-octylnitrous amideMETHYL(NITROSO)OCTYLAMINEN-Methyl-N-nitrosooctylamineNitrosomethyl-n-octylamineNitroso-N-methyl-n-octylamine1-Octylamine, N-methyl-N-nitroso-
Show more names
N-nitroso-N-methyloctylamineOCTYLAMINE, N-METHYL-N-NITROSO-CCRIS 1368BRN 4372422N-Nitrosomethyl-n-octylamineUNII-3G90K760MBDTXSID50955970CCSLOEMFOMJAFM-UHFFFAOYSA-N
Database identifiers
- CAS
34423-54-6- PubChem CID
- 36828
- DTXSID
DTXSID50955970- UNII
- 3G90K760MB
- EC Number
- 101-102-9
- Nikkaji
- J64.742J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Boiling point
- 302.61 °C · 302.61°C (rough estimate)
- Density
- 0.9845 · 0.9845 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- pka
- -3.343 · -3.343±0.70(predicted)
- FDA UNII
- 3 G90K760MB · 3G90K760MB
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 50 mg/plate · mma-sat 50 mg/plate TCMUD8 1,295,80
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
Warning
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
Regulatory InformationHazard Traits - Carcinogenicity
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- mma-sat 50 mg/plate TCMUD8 1,295,80
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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