Basic information
- CAS
35878-48-9- Standard SMILES
CC(C)CCN(N=O)C(N)=N[N+](=O)[O-]- InChIKey
WYFTYNAZEMXYFM-UHFFFAOYSA-N- Molecular formula
- C6H13N5O3
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.10183929
Names & identifiers
- Preferred name
- Guanidine, 1-isopentyl-2-nitro-1-nitroso-
- IUPAC
- 1-(3-methylbutyl)-2-nitro-1-nitrosoguanidine
Names & synonyms
35878-48-9GUANIDINE, 1-ISOPENTYL-2-NITRO-1-NITROSO-DTXSID501894351-Isopentyl-2-nitro-1-nitrosoguanidineN-Nitroso-N'-nitro-N-isopentylguanidineN-(Isoamyl)-N'-nitro-N-nitrosoguanidineGuanidine, N-(3-methylbutyl)-N'-nitro-N-nitroso-RefChem:346898DTXCID80111926N-(3-methylbutyl)-N''-nitro-N-nitrosoguanidineGuanidine, N-(3-methylbutyl)-N''-nitro-N-nitroso-
Database identifiers
- CAS
35878-48-9- PubChem CID
- 37296
- DTXSID
DTXSID50189435- EC Number
- 684-369-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
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]
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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