Basic information
- CAS
20095-27-6- Standard SMILES
O=S(=O)([O-])C(O)Cc1c[nH]c2ccccc12.[Na+]- InChIKey
WYKPCRCESPDDQX-UHFFFAOYSA-M- Molecular formula
- C10H10NNaO4S
- Average molar mass
- 263.25 g/mol
- Monoisotopic mass
- 263.02282326
Names & identifiers
- Preferred name
- sodium 1-hydroxy-2-(1H-indol-3-yl)ethane-1-sulfonate
- IUPAC
- sodium 1-hydroxy-2-(1H-indol-3-yl)ethanesulfonate
- English name
- Indole-3-acetaldehyde sodium bisulfite addition compound
- Molecular formula
- C10H11NO4S.Na
- Molecular weight
- 264.25
Names & synonyms
20095-27-63-Indole-3-acetaldehyde sodium bisulfitesodium 1-hydroxy-2-(1H-indol-3-yl)ethane-1-sulfonatesodium;1-hydroxy-2-(1H-indol-3-yl)ethanesulfonateINDOLE-3-ACETALDEHYDESODIUMBISULFITEADDITIONCOMPOUND1H-Indole-3-ethanesulfonic acid, alpha-hydroxy-, sodium salt (1:1)Indole-3-acetaldehyde-sodium bisulfite addition compoundSCHEMBL30130459WYKPCRCESPDDQX-UHFFFAOYSA-MDTXSID301036176MFCD00012079AKOS026482777
Show more names
Tryptophan Impurity 111indole-3-acetaldehyde sodium bisulfiteINDOLE-3-ACETALDEHYDE SODIUM BISULFATE)3-INDOLEACETALDEHYDE BISULFITE ADDITION COMPOUND2'-O-MONOBUTYRYLGUANOSINE 3':5'-CYCLIC*M ONOPHOSPHAT1H-Indole-3-ethanesulfonic acid, α-hydroxy-, sodium salt (1:1)
NS00074175EN300-1976641-Hydroxy-2-(1H-indol-3-yl)ethanesulfonate (Na+)Z1970017019INDOLE-3-ACETALDEHYDE SODIUM BISULFITE ADDITION COMPOUND1H-Indole-3-ethanesulfonic acid, ?-hydroxy-, sodium salt (1:1)
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C10H11NO4S.Na/c12-10(16(13,14)15)5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,10-12H,5H2,(H,13,14,15);/q;+1/p-1
- InChIKey
- WYKPCRCESPDDQX-UHFFFAOYSA-M
- SMILES
- [Na].OC(Cc1c[nH]c2ccccc12)S(O)(=O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
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 40 reports by companies from 3 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses• ;Reactant for preparation of potential neurotransmitter analogs1• ;Reactant for Strecker reaction with cyanide-11C2
UsesReactant for preparation of potential neurotransmitter analogsReactant for Strecker reaction with cyanide-11C
Suppliers13 total
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
诺迪嘉生物医药（苏州）有限公司15150674956
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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