Basic information
- CAS
760-60-1- Standard SMILES
CC(C)CN(N=O)C(N)=O- InChIKey
SRSYSQPJIQFKKN-UHFFFAOYSA-N- Molecular formula
- C5H11N3O2
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.0851266
Names & identifiers
- Preferred name
- N-(2-Methylpropyl)-N-nitrosourea
- IUPAC
- 1-(2-methylpropyl)-1-nitrosourea
- English name
- Urea, N-(2-methylpropyl)-N-nitroso-
- Molecular formula
- C5H11N3O2
- Molecular weight
- 145.16
Names & synonyms
N-Isobutyl-N-nitrosourea760-60-1N-(2-Methylpropyl)-N-nitrosoureaRefChem:9013061-(2-methylpropyl)-1-nitrosoureaIsobutylnitrosoureaUrea, N-(2-methylpropyl)-N-nitroso-N-Nitroso-N-isobutylureaIso-bnuCCRIS 350N-Nitroso-iso-butylurea1-Isobutyl-1-nitrosourea
Show more names
N-I-BUTYL-N-NITROSOUREAN-Isobutyl-N-nitrosoharnstoff
1-Iso-butyl-1-nitrosoureaBRN 1768638Urea, 1-isobutyl-1-nitroso-nitroso-i-butylureaY394PTR3UK3-04-00-00322 (Beilstein Handbook Reference)DTXSID0020999SRSYSQPJIQFKKN-UHFFFAOYSA-N
Database identifiers
- CAS
760-60-1- PubChem CID
- 69800
- DTXSID
DTXSID0020999- UNII
- Y394PTR3UK
- Nikkaji
- J3.322G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 135
Experimental & physicochemical properties
LogP1.04
Physicochemical properties
- Boiling point
- 264.27 °C · 264.27°C (rough estimate)
- Density
- 1.2598 · 1.2598 (rough estimate)
- refractive index
- 1.66 · 1.6600 (estimate)
- pka
- 12.25 · 12.25±0.50(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationUrea, N-(2-methylpropyl)-N-nitroso-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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