Basic information
- CAS
619-60-3- Standard SMILES
CN(C)c1ccc(O)cc1- InChIKey
JVVRCYWZTJLJSG-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 4-(Dimethylamino)phenol
- IUPAC
- 4-(dimethylamino)phenol
- English name
- 4-(dimethylamino)phenol
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
4-(Dimethylamino)phenol619-60-34-DimethylaminophenolPhenol, 4-(dimethylamino)-N,N-Dimethyl-4-aminophenolDMAP (antidote)N,N-Dimethyl-p-hydroxyanilinePhenol, p-(dimethylamino)-X387L5559ODTXSID70210932RefChem:98774DTXCID00133423
Show more names
4-(dimethylamino)phenoNeostigmine Impurity 44-N,N-DIMETHYLAMINOPHENOLPhenol,4-(diMethylaMino)-
210-604-8p-(Dimethylamino)phenolMFCD01707548p-dimethylaminophenolp-Hydroxy-N,N-dimethylaniline4-Dimethylamino-phenolNeostigmine Impurity 6EINECS 210-604-8
Database identifiers
- CAS
619-60-3- PubChem CID
- 22174
- DTXSID
DTXSID70210932- ChEMBL
CHEMBL3707216- ChEBI
CHEBI:135941- UNII
- X387L5559O
- EC Number
- 210-604-8
- Nikkaji
- J135.646A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95
Physicochemical properties
- Melting point
- 138 · 138-141℃
- Boiling point
- 260 ℃ · 260℃
- Density
- 1.089 · 1.089
- refractive index
- 1.556 · 1.5560 (estimate)
- Flash point
- 136 ℃ · 136℃
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- form
- solid
- pka
- 10.11 · 10.11±0.13(Predicted)
- color
- Off-white
- InChI
- InChI=1S/C8H11NO/c1-9(2)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
- InChIKey
- JVVRCYWZTJLJSG-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(N(C)C)C=C1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 387 L5559O · X387L5559O
- ATC code
- 3 AB27 · V03AB27
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- RIDADR
- 2928 · UN2928
- RTECS
- 9230000 · US9230000
- HazardClass
- 6.1 · 6.1, 8
- HS Code
- 2921490090 · 2921490090
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (300g or 300ml)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (77.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (11.1%)；STOT SE 3 (100%)
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Safety data
- rtecs
- US9230000
- ridadr
- UN2928
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1, 8
- Hazard statements
- H335-H302-H319-H315
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (300g or 300ml)
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
ATC Code
V - Various；V03 - All other therapeutic products；V03A - All other therapeutic products；V03AB - Antidotes；V03AB27 - 4-dimethylaminophenol
QV - Various；QV03 - All other therapeutic products；QV03A - All other therapeutic products；QV03AB - Antidotes；QV03AB27 - 4-dimethylaminophenol
MeSH Pharmacological ClassificationAgents counteracting or neutralizing the action of POISONS.
Uses & manufacturing
UsesUsed in Germany as an antidote to induce methemoglobinemia in cases of cyanide poisoning; [Olson, p. 700]
Applications
Uses4-(Dimethylamino)phenol increases the extracellular lactate dehydrogenase (LDH) without markedly affecting gluconeogenesis. 4-(Dimethylamino)phenol cannot decreases the ATP content until the membrane becomes permeable to LDH[1].
Upstream & downstream products
Upstream raw materials
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
上海忆嵘生物科技有限公司18049974220 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
苏州乔贝迪医药科技有限公司15162465251 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
重庆星灿医药科技有限公司13594048950 19923294409 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
台州市一川化工有限公司0576-88652780 13906597690 · [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]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
宿州利元生物医药科技有限公司15556287180 15556287180 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京科晟祥科技有限公司18252089365 · [email protected]
康幸生物科技（上海）有限公司021-61556450 15800904410
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海途志化工有限公司19542790274 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
南京琦诺医药科技有限公司15896017193 15950489054 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
苏州敬同药业有限公司13675155016 · [email protected]
上海希凯姆医药开发有限公司13889470786 · [email protected]
Additional notes
DefinitionChEBI: 4-dimethylaminophenol is a tertiary amino compound and a dialkylarylamine.
Related reactions
5 records
Compound notes
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