Basic information
- CAS
104465-33-0- Standard SMILES
CCC(C)C(NC(=O)CNC)C(=O)O- InChIKey
RLMIOFAVCWUQPP-UHFFFAOYSA-N- Molecular formula
- C9H18N2O3
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.13174244
Names & identifiers
- Preferred name
- Sarcosyl-L-isoleucine
- IUPAC
- 3-methyl-2-[[2-(methylamino)acetyl]amino]pentanoic acid
- English name
- (2S)-3-methyl-2-[2-(methylamino)acetamido]pentanoic acid
- Molecular formula
- C9H18N2O3
- Molecular weight
- 202.25
Names & synonyms
SARCOSYL-L-ISOLEUCINE104465-33-0RefChem:884585668-877-8SCHEMBL19926836(2S)-3-methyl-2-[2-(methylamino)acetamido]pentanoic acid
Database identifiers
- CAS
104465-33-0- PubChem CID
- 5114067
- EC Number
- 668-877-8
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 399.168 · 399.168±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.175 · 3.175±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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