Basic information
- CAS
4245-76-5- Standard SMILES
CN=C(N)N[N+](=O)[O-]- InChIKey
XCXKNNGWSDYMMS-UHFFFAOYSA-N- Molecular formula
- C2H6N4O2
- Average molar mass
- 118.1 g/mol
- Monoisotopic mass
- 118.04907545
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- N-methyl-N'-nitroguanidine
- IUPAC
- 2-methyl-1-nitroguanidine
- English name
- 1-Methyl-3-nitroguanidine
- Molecular formula
- C2H6N4O2
- Molecular weight
- 118.09
Names & synonyms
1-Methyl-3-nitroguanidine4245-76-5N-Methyl-N'-nitroguanidine7T934ZID4EDTXSID70195230N-MNGRefChem:830542DTXCID80117721610-029-6Guanidine, N-methyl-N'-nitro-2-methyl-1-nitroguanidine1-methyl-2-nitroguanidine
Show more names
MNQ1-Methyl-3-nitMETHYLNITROGUANIDINEMethylnnitroguanidineMethylmitro guanidine1-Methyl-3-nitorguanidine1-Methyl-1-nitroguanidine
MFCD000241672-methyl-1-nitro-guanidineSCHEMBL422868SCHEMBL6890012[imino(methylamino)methyl]nitroamineMSK14515N''-METHYL-N-NITROGUANIDINEMETHYL-3-NITROGUANIDINE, 1-
Database identifiers
- CAS
4245-76-5- PubChem CID
- 20237
- DTXSID
DTXSID70195230- UNII
- 7T934ZID4E
- EC Number
- 610-029-6
- Nikkaji
- J2.208J
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Melting point
- 153 · 153-155 °C(lit.)
- Boiling point
- 220.6 °C · 220.6°C (rough estimate)
- Density
- 1.5428 · 1.5428 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- very faint turbidity in hot Water
- form
- powder to crystal
- pka
- 3.53 · 3.53±0.50(Predicted)
- color
- White to Almost white
- Water Solubility
- 14 g/L · 14g/L at 25℃
- Stability
- Light sensitive
- InChI
- InChI=1S/C2H6N4O2/c1-4-2(3)5-6(7)8/h1H3,(H3,3,4,5)
- InChIKey
- XCXKNNGWSDYMMS-UHFFFAOYSA-N
- SMILES
- N(C)C(=N)N[N+]([O-])=O
- CAS DataBase Reference
- 4245 · 4245-76-5(CAS DataBase Reference)
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
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Sol. 1 (100%)
Safety data
- wgk
- 3
- rtecs
- MF4125000
- ridadr
- UN 1325 4.1/PG 2
- hs_code
- 29252900
- risk_code
- 11-20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16-26-36/37/39-48
- hazard_class
- 4.1
- packing_group
- III
- Hazard statements
- H302+H312+H332-H228-H302-H312-H315-H319-H332-H335
- REACH Registrations
- Inactive
- Precautionary statements
- P210-P261-P280-P305+P351+P338-P240-P241-P264-P270-P271-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Applications
UsesN-Methyl N-Nitroguanidine induces stomach adenocinoma in rats.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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