Basic information
- CAS
6616-56-4- Standard SMILES
Oc1cc(CN2CCOCC2)c(O)cc1CN1CCOCC1- InChIKey
DGGCIZWVIVXHFR-UHFFFAOYSA-N- Molecular formula
- C16H24N2O4
- Average molar mass
- 308.37 g/mol
- Monoisotopic mass
- 308.17360725
Names & identifiers
- Preferred name
- 2,5-Bis-(morpholinomethyl)-hydroquinone
- IUPAC
- 2,5-bis(morpholin-4-ylmethyl)benzene-1,4-diol
- English name
- NSC23026
- Molecular formula
- C16H24N2O4
- Molecular weight
- 308.37
Names & synonyms
2,5-bis-(morpholinomethyl)-hydroquinoneRefChem:444146663-907-66616-56-4MSX-1272,5-bis(morpholinomethyl)benzene-1,4-diolHydroquinone, 2,5-bis(morpholinomethyl)-2,5-bis(morpholin-4-ylmethyl)benzene-1,4-diolNSC-230262,5-Bis(morpholinomethyl)hydroquinone2,5-Bis[(morpholin-4-yl)methyl]benzene-1,4-diolNSC23026
Show more names
NSC 47883MSX-127(NSC23026)1,4-Benzenediol, 2,5-bis(4-morpholinylmethyl)-MSX 127NSC 23026NSC 47883
MFCD00087356NSC47883NSC-47883Oprea1_263516Oprea1_481211CBDivE_002639CHEMBL393855MSX127
Database identifiers
- CAS
6616-56-4- PubChem CID
- 229366
- DTXSID
DTXSID00984634- ChEMBL
CHEMBL393855- EC Number
- 663-907-6
- Nikkaji
- J1.205.645A
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 201 · 201-203 °C
- Boiling point
- 486.7 · 486.7±40.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- 41.67 mg/mL · DMSO : 41.67 mg/mL (135.13 mM; Need ultrasonic)
- pka
- 10.29 · 10.29±0.48(Predicted)
- form
- Solid
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesMSX-127 is a CXCR4 antagonist. MSX-127 inhibits cancer metastasis[1].
Suppliers40 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
InvivoChem中国13549236410 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
韶关市启程生物科技有限公司
Related reactions
1 records
Compound notes
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