Basic information
- CAS
2157-98-4- Standard SMILES
CNC(=O)C=C(C)OP(=O)(OC)OC- InChIKey
KRTSDMXIXPKRQR-UHFFFAOYSA-N- Molecular formula
- C7H14NO5P
- Average molar mass
- 223.16 g/mol
- Monoisotopic mass
- 223.06095954
Names & identifiers
- Preferred name
- Moncrotophos
- IUPAC
- dimethyl [4-(methylamino)-4-oxobut-2-en-2-yl] phosphate
- English name
- Alphate
- Molecular formula
- C7H14NO5P
- Molecular weight
- 223.16
Names & synonyms
Alphate2157-98-4MoncrotophosDTXSID5042164RefChem:1089796DTXCID3022164dimethyl [4-(methylamino)-4-oxobut-2-en-2-yl] phosphateSCHEMBL4918485KRTSDMXIXPKRQR-UHFFFAOYSA-NDimethyl 1-methyl-3-(methylamino)-3-oxoprop-1-enyl phosphateCAA15798EINECS 218-473-9
Show more names
MonocrotophosValine Impurity 1543-(Dimethoxyphosphinyl)oxy-N-methyl-2-butenamidedimethyl [4-(methylamino)-4-oxo-but-2-en-2-yl] phosphateDimethyl [(E)-4-methylamino-4-oxobut-2-en-2-yl] phosphatePhosphoric acid 2-methylcarbamoyl-1-methylvinyldimethyl esterPhosphoric acid dimethyl=[1-methyl-3-oxo-3-(methylamino)-1-propenyl] esterphosphoric acid [3-keto-1-methyl-3-(methylamino)prop-1-enyl] dimethyl ester
DB-055241NS00083531dimethyl 2-methylcarbamoyl-1-methyl-vinyl phosphateDimethyl 4-(methylamino)-4-oxobut-2-en-2-yl phosphate1-Methyl-3-(methylamino)-3-oxo-1-propenyl dimethyl phosphateCrotonamide, 3-hydroxy-N-methyl-, dimethyl phosphate (ester)Phosphoric acid, dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl esterPhosphoric acid, dimethyl ester, ester with 3-hydroxy-N-methylcrotonamide
Database identifiers
- CAS
2157-98-4- PubChem CID
- 23353
- DTXSID
DTXSID5042164- EC Number
- 218-473-9
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
LogP-0.2
Physicochemical properties
- Boiling point
- 120 · 120-125 °C(Press: 0.003 Torr)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- pka
- 13.98 · 13.98±0.46(Predicted)
- FDA UNII
- 5 Q3PE07Z18 · 5Q3PE07Z18
Chemistry & industry
Applications
UsesMoncrotophos Bis(methoxy-D3) is deuterium labelled analogue of Moncrotophos (M525620), which is an organophosphorus pesticide that inhibits acetylcholinesterase.
Suppliers7 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
北京海岸鸿蒙标准物质技术有限责任公司13240431552 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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