Nitrosodiisopropylamine
Basic information
- CAS
601-77-4- Standard SMILES
CC(C)N(N=O)C(C)C- InChIKey
AUIKJTGFPFLMFP-UHFFFAOYSA-N- Molecular formula
- C6H14N2O
- Average molar mass
- 130.19 g/mol
- Monoisotopic mass
- 130.11061307
Names & identifiers
- Preferred name
- Nitrosodiisopropylamine
- IUPAC
- N,N-di(propan-2-yl)nitrous amide
- English name
- N-Nitroso-di-iso-propylamine
- Molecular formula
- C6H14N2O
- Molecular weight
- 130.19
Names & synonyms
601-77-4N-NITROSODIISOPROPYLAMINEDiisopropylnitrosamineNitrosodiisopropylamineDiisopropylnitrosaminAFI1E104OFNSC-336RefChem:830847N-Nitroso-di-iso-propylamineDiisopropyl-N-nitrosamineN,N-diisopropylnitrous amideDiisopropylamine, N-nitroso-
Show more names
NDIPAN-NitrodiisopropylamineNSC 336TAK438 Impurity 113Valsartan Impurity 67Diisopropylnitrosoamine
2-Propanamine, N-(1-methylethyl)-N-nitroso-N,N-di(propan-2-yl)nitrous amidenitrosobis(propan-2-yl)amineDiethylamine, 1,1'-dimethyl-N-nitroso-N-(1-Methylethyl)-N-nitroso-2-propanamine2-Propanamine,N-(1-methylethyl)-N-nitroso-N-Nitrosodiisopropylamine (NdiPA)N-Nitrosodiisopropylamine (1mg/mL in Methanol)
Database identifiers
- CAS
601-77-4- PubChem CID
- 11758
- DTXSID
DTXSID20208844- ChEMBL
CHEMBL115700- UNII
- AFI1E104OF
- EC Number
- 690-128-9
- Nikkaji
- J14.712E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83.1
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
SpringerMaterials PropertiesBoiling point
LogP1.48
Boiling Point194.5 °C
Melting Point>300 °C
Vapor Pressure0.26 [mmHg]
Physical Description
White to pale yellow solid; [Toronto Research Chemicals MSDS]
White to pale yellow solid.
Physicochemical properties
- Melting point
- 300 °C · >300°C
- Boiling point
- 194.5 ℃ · 194.5℃
- Density
- 0.9422 · 0.9422
- refractive index
- 1.4431 · 1.4431 (estimate)
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
This chemical does not meet GHS hazard criteria for 42.9% (3 of 7) of reports.
Danger
H301 (28.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P280, P301+P316, P301+P317, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryMay cause irritation; Harmful by ingestion; Suspected carcinogen; [Toronto Research Chemicals MSDS] See NITROSAMINES.
Hazard Classes and CategoriesAcute Tox. 3 (28.6%)
Safety data
- wgk
- WGK 3
- ridadr
- 2811
- hs_code
- 29211990
- Toxicity
- LD50 orl-rat: 850 mg/kg ZEKBAI 69,103,67
- risk_code
- 22-45
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- safety_code
- 53
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H340-H350-H301
Chemistry & industry
Applications
UsesA nitroso compound that shows carcinogenic effect
UsesN-Nitrosodiisopropylamine ia a nitrosoamine compound that shows carcinogenic effect.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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