Basic information
- CAS
63762-74-3- Standard SMILES
COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl- InChIKey
LUINDDOUWHRIPW-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O2
- Average molar mass
- 266.72 g/mol
- Monoisotopic mass
- 266.0822054
Overview
N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide is a member of acetamides.
Names & identifiers
- Preferred name
- 6-Chloromelatonin
- IUPAC
- N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
- English name
- 6-Chloromelatonin
- Molecular formula
- C13H15ClN2O2
- Molecular weight
- 266.72
Names & synonyms
6-CHLOROMELATONIN63762-74-3N-(2-(6-Chloro-5-methoxy-1H-indol-3-yl)ethyl)acetamiden-[2-(6-chloro-5-methoxy-1h-indol-3-yl)ethyl]acetamideDTXSID30213202RefChem:104439DTXCID90135693636-315-06-Cl-MLTCHEMBL34730N-[2-(6-Chloro-5-methoxy-1H-indol-3-yl)-ethyl]-acetamide6-Cl-melatonin
Show more names
Melatonin Impurity 86 Chloromelatonin,6ChloromelatoninN-Acetyl-6-chloro-5-methoxytryptamineN-[2-(6-CHLORO-5-METHOXYINDOL-3-YL)ETHYL]ACETAMIDEn-(2-(6-chloro-5-methoxy-1h-indol-3-yl)ethyl)-acetamidAcetamide, N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]-
SR-01000075735Lopac-C-0331BRN 0410191melatonin, 6-ChloroTocris-0443Melatonin 6-Chloro ImpurityLopac0_000178MLS002153444
Database identifiers
- CAS
63762-74-3- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 147 · 147-148 °C
- Boiling point
- 536.7 · 536.7±50.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- alcohol: soluble
- pka
- 15.99 · 15.99±0.30(Predicted)
- form
- Powder
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 335 · H335-H301-H360-H311-H331-H319-H315
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- T
- Risk Statements
- 60 · 60-23/24/25-36/37/38
- Safety Statements
- 53 · 53-26-36/37/39-45
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
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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 CategoriesAcute Tox. 3 (97.4%)
Safety data
- wgk
- 3
- rtecs
- AB5750000
- risk_code
- 60-23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- hazard_code
- T
- safety_code
- 53-26-36/37/39-45
- Hazard statements
- H335-H301-H360-H311-H331-H319-H315
- Precautionary statements
- P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses6-Chloromelatonin is a potent agonist of the melatonin receptors.
Suppliers21 total
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
Related reactions
2 records
Compound notes
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