Basic information
- CAS
13256-32-1- Standard SMILES
CNC(=O)N(C)N=O- InChIKey
BHMHNSQLZKUIMD-UHFFFAOYSA-N- Molecular formula
- C3H7N3O2
- Average molar mass
- 117.11 g/mol
- Monoisotopic mass
- 117.05382648
Names & identifiers
- Preferred name
- N,N'-Dimethyl-N'-nitrosourea
- IUPAC
- 1,3-dimethyl-1-nitrosourea
- English name
- N,N'-dimethylnitrosourea
- Molecular formula
- C3H7N3O2
- Molecular weight
- 117.11
Names & synonyms
13256-32-1N,N'-Dimethyl-N-nitrosoureaDimethylnitrosourea1,3-DimethylnitrosoureaNDMUN-Nitroso-N,N'-dimethylureaDimethynur1-Nitroso-1,3-dimethylureaUrea, 1,3-dimethyl-1-nitroso-Urea, N,N'-dimethyl-N-nitroso-IJT22X8U2ZN,N'-DIMETHYL-N'-NITROSOUREA
Show more names
YT03500000N,N'-dimethylnitrosoureaHydroxy Urea Impurity 101,3-Dimethyl-1-nitrourea1,3-Dimethyl-1-nitrosoureaN-Nitroso N,N'-Dimethylurea1,3-Dimethyl-3-nitrosourea (Contains 25-35% water)
NSC-48893DTXSID5074501RefChem:1090284DTXCID9034103Nitrosodimethylurea1,3-dimethyl-3-nitrosourea1,3-Dimethyl-N-nitrosourea1,2-Dimethyl-1-nitrosourea
Database identifiers
- CAS
13256-32-1- PubChem CID
- 83273
- DTXSID
DTXSID5074501- ChEMBL
CHEMBL4303552- UNII
- IJT22X8U2Z
- Nikkaji
- J3.435E
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 74 · 74 - 78°C
- Boiling point
- 218.88 °C · 218.88°C (rough estimate)
- Density
- 1.402 · 1.4020 (rough estimate)
- refractive index
- 1.49 · 1.4900 (estimate)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 11.58 · 11.58±0.46(Predicted)
- color
- Pale Yellow to Light Yellow
- Stability
- Temperature Sensitive
- FDA UNII
- 22 X8U2Z · IJT22X8U2Z
- EPA Substance Registry System
- N,N'-Dimethyl-N-nitrosourea (13256-32-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1,3-Dimethyl-3-nitrosourea is a carcinogen.
Upstream & downstream products
Downstream products
Suppliers13 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
TLC梯尔希（南京）药物研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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