Basic information
- CAS
932-83-2- Standard SMILES
O=NN1CCCCCC1- InChIKey
UZMVSVHUTOAPTD-UHFFFAOYSA-N- Molecular formula
- C6H12N2O
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.09496301
Overview
N-Nitrosohexamethyleneimine can cause cancer according to an independent committee of scientific and health experts.
Names & identifiers
- Preferred name
- Nitrosohexamethylenimine
- IUPAC
- 1-nitrosoazepane
- English name
- N-Nitrosohexamethyleneimine
- Molecular formula
- C6H12N2O
- Molecular weight
- 128.17
Names & synonyms
N-Nitrosohexamethyleneimine932-83-2N-NitrosohexamethylenimineN-NitrosoperhydroazepineNitrosohexamethylenimineN-NitrosoazacycloheptaneN-NITROSOHEXAHYDROAZEPINE1H-Azepine, hexahydro-1-nitroso-NitrosohexamethyleneimineDTXSID0021040N67X53N3YTDTXCID301040
Show more names
NHIPivmecillinam Impurity 10
RefChem:164008213-258-61-NitrosoazepaneHexahydro-1-nitroso-1H-azepineN-6-MIMFCD00467141Hexahydro-1-nitrosoazepineCCRIS 468
Database identifiers
- CAS
932-83-2- PubChem CID
- 13613
- DTXSID
DTXSID0021040- ChEMBL
CHEMBL165191- UNII
- N67X53N3YT
- EC Number
- 213-258-6
- Nikkaji
- J3.350B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
LogP0.92
Vapor Pressure0.45 [mmHg]
Physical DescriptionYellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 233 °C · 233 °C(lit.)
- Density
- 1.06 g/mL · 1.06 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.497(lit.)
- Flash point
- 99 °C · 99 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- -3.18 · -3.18±0.20(Predicted)
- color
- Colourless
- Water Solubility
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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationHazard Traits - Carcinogenicity
Hazards Summary
Causes convulsions in oral lethal-dose studies of rats; Causes other liver changes, chronic pulmonary edema, and changes in blood vessels or circulation of the kidney in subcutaneous lethal-dose studies of mice; [RTECS] A skin and strong eye irritant; Harmful by ingestion; Possible carcinogen; [Sigma-Aldrich MSDS] See NITROSAMINES.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- CM3325000
- Toxicity
- LD50 orl-rat: 336 mg/kg CNREA8 28,1217,68
- risk_code
- 45-22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- T
- safety_code
- 53-36/37/39-45
Chemistry & industry
Applications
UsesN-Nitrosohexamethylenimine is a carcinogen.
Suppliers16 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…