Basic information
- CAS
55557-00-1- Standard SMILES
O=NN1CCCN(N=O)CC1- InChIKey
FUCMFBXWLUGVIZ-UHFFFAOYSA-N- Molecular formula
- C5H10N4O2
- Average molar mass
- 158.16 g/mol
- Monoisotopic mass
- 158.08037557
Names & identifiers
- Preferred name
- Hexahydro-1,4-dinitroso-1H-1,4-diazepine
- IUPAC
- 1,4-dinitroso-1,4-diazepane
- English name
- N,N-dinitrosohomopiperazine
- Molecular formula
- C5H10N4O2
- Molecular weight
- 158.16
Names & synonyms
Dinitrosohomopiperazine55557-00-1N,N-Dinitrosohomopiperazine1H-1,4-DIAZEPINE, HEXAHYDRO-1,4-DINITROSO-FH496MRM5JDTXSID0020525Hexahydro-1,4-dinitroso-1H-1,4-diazepineDNHPRefChem:822652DTXCID405251,4-Dinitroso-1,4-diazepaneBRN 0147155
Show more names
Fasudil Nitroso Impurity 251,4-Dinitrosohexahydro-1H-1,4-diazepine
Fasudil impurity 670-23-00-00016 (Beilstein Handbook Reference)CHEMBL164341SCHEMBL18650288FUCMFBXWLUGVIZ-UHFFFAOYSA-N1,4-Dinitroso-1,4-diazepane #EBC-395252Q63088199
Database identifiers
- CAS
55557-00-1- PubChem CID
- 41473
- DTXSID
DTXSID0020525- ChEMBL
CHEMBL164341- UNII
- FH496MRM5J
- EC Number
- 895-662-8
- Nikkaji
- J57.936J
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 135
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
LogP-0.51
Vapor Pressure0.00008 [mmHg]
Physicochemical properties
- Boiling point
- 283.23 °C · 283.23°C (rough estimate)
- Density
- 1.3379 · 1.3379 (rough estimate)
- refractive index
- 1.79 · 1.7900 (estimate)
- pka
- -4.4 · -4.40±0.20(Predicted)
- EPA Substance Registry System
- 1 H-1,4-Diazepine, · 1H-1,4-Diazepine, hexahydro-1,4-dinitroso- (55557-00-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, P261, P264, P264+P265, P270, P271, P280, P301+P316, 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
Hazards SummarySee NITROSAMINES.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳市恒丰万达医药科技有限公司13986652530 · [email protected]
湖北摩科生物科技有限公司17320513646 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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