Basic information
- CAS
3595-05-9- Standard SMILES
CN(C)CCc1ccc(O)cc1.O=S(=O)(O)O- InChIKey
OIIQUBZPQJNHQK-UHFFFAOYSA-N- Molecular formula
- C10H17NO5S
- Average molar mass
- 263.31 g/mol
- Monoisotopic mass
- 263.08274382
Names & identifiers
- Preferred name
- Phenol, 4-(2-(dimethylamino)ethyl)-, sulfate (1:?)
- IUPAC
- 4-[2-(dimethylamino)ethyl]phenol;sulfuric acid
- English name
- HORDENINE
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
3595-05-9Phenol, 4-[2-(dimethylamino)ethyl]-, sulfate (1:?)p-(2-(Dimethylamino)ethyl)phenol sulphatePhenol, 4-(2-(dimethylamino)ethyl)-, sulfate (1:?)RefChem:1094906222-740-54-(2-(Dimethylamino)ethyl)phenol sulfate62493-39-4Hordenine, sulfate4-(2-(Dimethylamino)ethyl)phenol sulfate (1:1) (salt) dihydratePhenol, 4-(2-(dimethylamino)ethyl)-, sulfate (1:1) (salt), dihydrateMLS006012010
Show more names
Hordenine sulfate 95%Hordenine sulfate (salt)HORDENINEANHALINEEREMURSINEPEYOCACTINE4-[2-(Dimethylamino)ethyl]-phenol sulfate (salt)
orb1740498SCHEMBL6338584CHEMBL2165405OIIQUBZPQJNHQK-UHFFFAOYSA-NNSC62114EINECS 222-740-5NSC 62114NSC-62114
Database identifiers
- CAS
3595-05-9、622-64-0、62493-39-4
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 209 · 209-211℃
- Risk Statements
- 22 · 22-36-43
- Safety Statements
- 26 · 26-36/37
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22-36-43
- safety_code
- 26-36/37
Chemistry & industry
Suppliers7 total
INTATRADE GmbH+49 3493/605464 · [email protected]
上海泽信化工科技有限公司021-60136491 15901897992
HBCChem, Inc.+1-510-219-6317 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
Nanjing Dolon Biotechnology Co.,Ltd.18905173768 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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