Basic information
- CAS
102767-31-7- Standard SMILES
CC[C@H](NC(=O)CCCCl)C(N)=O- InChIKey
QBJNYRYTZPBHFT-LURJTMIESA-N- Molecular formula
- C8H15ClN2O2
- Average molar mass
- 206.67 g/mol
- Monoisotopic mass
- 206.0822054
Names & identifiers
- Preferred name
- N-(1-Amino-1-oxobutan-2-yl)-4-chlorobutanamide, (S)-
- IUPAC
- (2S)-2-(4-chlorobutanoylamino)butanamide
- English name
- (S)-N-(1-aMino-1-oxobutan-2-yl)-4-chlorobutanaMide
- Molecular formula
- C8H15ClN2O2
- Molecular weight
- 206.67
Names & synonyms
102767-31-7(S)-N-(1-Amino-1-oxobutan-2-yl)-4-chlorobutanamideUNII-3P8M8S76NM3P8M8S76NMButanamide, N-[(1S)-1-(aminocarbonyl)propyl]-4-chloro-N-(1-Amino-1-oxobutan-2-yl)-4-chlorobutanamide, (S)-Butanamide, N-((1S)-1-(aminocarbonyl)propyl)-4-chloro-N-(1-Amino-1-oxobutan-2-yl)-4-chlorobutanamide, (-)-DTXSID10145496RefChem:161427DTXCID4067987Levetiracetam Impurity 3
Show more names
LevetiracetaM Related CoMpound ALevetiracetam-5Levetiracetam RC-ARelated Substance ALevetiracetam Impurity ELevetiracetam impurity 04Levetiracetam impurities518Levetiracetam impurity E CRSLevetiracetam USP Impurity-A
(2S)-2-(4-chlorobutanoylamino)butanamideLevetiracetam USP RC AN-[(1S)-1-(Aminocarbonyl)propyl]-4-chlorobutanamideLevetiracetam USP Rc A(S)-N-[1-(Aminocarbonyl)propyl]-4-chlorobutanamideSCHEMBL5836749MFCD09955129AKOS027320653
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 453.2 · 453.2±30.0 °C(Predicted)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- pka
- 14.54 · 14.54±0.46(Predicted)
- BRN
- 13476773 · 13476773
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C8H15ClN2O2/c1-2-6(8(10)13)11-7(12)4-3-5-9/h6H,2-5H2,1H3,(H2,10,13)(H,11,12)/t6-/m0/s1
- InChIKey
- QBJNYRYTZPBHFT-LURJTMIESA-N
- SMILES
- C(N[C@H](C(N)=O)CC)(=O)CCCCl
- FDA UNII
- 3 P8M8S76NM · 3P8M8S76NM
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P405-P501
- Hazard Codes
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- WGK 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2924190002
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P264-P270-P301+P310-P405-P501
Chemistry & industry
Applications
Uses(S)-N-(1-Amino-1-oxobutan-2-yl)-4-chlorobutanamide is a related compound of Levetiracetam (L331500). Levetiracetam related compound A.
Suppliers69 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
Related reactions
4 records
Compound notes
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