Basic information
- CAS
38486-53-2- Standard SMILES
C=CC(=O)NC(C)(C)CC(=O)O- InChIKey
XOQMWEWYWXJOAN-UHFFFAOYSA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.08954328
Names & identifiers
- Preferred name
- 3-Acrylamido-3-methylbutyric acid
- IUPAC
- 3-methyl-3-(prop-2-enoylamino)butanoic acid
- English name
- 3-ACRYLAMIDO-3-METHYLBUTYRIC ACID
- Molecular formula
- C8H13NO3
- Molecular weight
- 171.19
Names & synonyms
38486-53-23-Acrylamido-3-methylbutyric acid3-Acrylamido-3-methylbutanoic acid3-methyl-3-(prop-2-enamido)butanoic acid3-methyl-3-(prop-2-enoylamino)butanoic acidMFCD00085218NSC2886483-(Acryloylamino)-3-methylbutanoic acidSCHEMBL35674DTXSID00314795AKOS005255412NSC 288648
Show more names
Butanoic acid, 3-methyl-3-[(1-oxo-2-propen-1-yl)amino]-
NSC-2886483-ACRYLAMIDO-3-METHYLBUTANOICACIDDB-006319CS-0452049G62454
Database identifiers
- CAS
38486-53-2- PubChem CID
- 324199
- DTXSID
DTXSID00314795- Nikkaji
- J761.337G
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 382.9 · 382.9±34.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder
- pka
- 4.3 · 4.30±0.10(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- Hazard Codes
- Xi
- HS Code
- 2915601990 · 2915601990
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
- hs_code
- 2915601990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Suppliers14 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
天津福瑞凯科技有限公司15602163079 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海相辉医药科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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