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Basic information
- CAS
138713-55-0- Standard SMILES
COc1ccc(C(N)CO)cc1- InChIKey
OZNSMUSCZYUFHD-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Names & identifiers
- Preferred name
- 2-Amino-2-(4-methoxyphenyl)ethan-1-ol
- IUPAC
- 2-amino-2-(4-methoxyphenyl)ethanol
- English name
- b-AMino-4-Methoxy-benzeneethanol
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
138713-55-02-AMINO-2-(4-METHOXYPHENYL)ETHAN-1-OLRefChem:463439898-541-82-AMINO-2-(4-METHOXYPHENYL)ETHANOLMFCD08752776Benzeneethanol, beta-amino-4-methoxy-b-Amino-4-methoxy-benzeneethanol2-amino-2-(4-methoxyphenyl)-1-ethanolSCHEMBL1439844OZNSMUSCZYUFHD-UHFFFAOYSA-Nbeta-Amino-4-methoxy-benzeneethanol
Show more names
2-ami-2-(4-methoxyphenyl)ethalb-AMino-4-Methoxy-benzeneethanoBenzeneethanol, β-amino-4-methoxy-
Benzeneethanol, |A-amino-4-methoxy-AKOS009344417SB44969SB45156BS-12196SY2701462-amino -2-(4-methoxyphenyl)-1-ethanolDB-346674
Database identifiers
- CAS
138713-55-0- PubChem CID
- 13617482
- EC Number
- 898-541-8
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 325.4 · 325.4±32.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 12.54 · 12.54±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2922500090 · 2922500090
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2922500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers25 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
常州市宣明医药科技有限公司+86-519-85525359 +86-15995072465 · [email protected]
南京友杰医药科技有限公司18860950986 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
天津星瀚生物科技有限公司13230698506 18698089028 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13917420128 13062833949 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
9 records
Compound notes
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