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Basic information
- CAS
102077-19-0- Standard SMILES
CC(N)c1ccc(Oc2ccccc2)cc1- InChIKey
WSQOGHJCBFRHSI-UHFFFAOYSA-N- Molecular formula
- C14H15NO
- Average molar mass
- 213.27 g/mol
- Monoisotopic mass
- 213.1153641
Names & identifiers
- Preferred name
- 1-(4-Phenoxyphenyl)ethan-1-amine
- IUPAC
- 1-(4-phenoxyphenyl)ethanamine
- English name
- Benzenemethanamine, .alpha.-methyl-4-phenoxy-
- Molecular formula
- C14H15NO
- Molecular weight
- 213.27
Names & synonyms
1-(4-phenoxyphenyl)ethan-1-amine102077-19-0DTXSID10907076RefChem:425995DTXCID701336168890-531-11-(4-phenoxyphenyl)ethanamineBenzenemethanamine, .alpha.-methyl-4-phenoxy-MFCD01732464Benzenemethanamine, alpha-methyl-4-phenoxy-BRN 2212672alpha-Methyl-p-phenoxybenzylamine
Show more names
α-Methyl-4-phenoxybenzenemethanamineBenzenemethanamine, α-methyl-4-phenoxy-1-(4-Phenoxyphenyl)ethan-1-amine - [P93457]1-(4'-bromo-[1,1'-biphenyl]-4-yl)ethan-1-amine
BENZYLAMINE, alpha-METHYL-p-PHENOXY-SCHEMBL5063491-(4-phenoxyphenyl)ethylamine1-(4-Phenoxy-phenyl)-ethylamineWSQOGHJCBFRHSI-UHFFFAOYSA-NCEA07719(R)-1-(4-Phenoxyphenyl)ethanamineMFCD06762011
Database identifiers
- CAS
102077-19-0- PubChem CID
- 59207
- DTXSID
DTXSID10907076- EC Number
- 890-531-1
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- form
- solid
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C14H15NO/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-11H,15H2,1H3
- InChIKey
- WSQOGHJCBFRHSI-UHFFFAOYSA-N
- SMILES
- NC(C)C(C=C1)=CC=C1OC2=CC=CC=C2
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Suppliers13 total
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州格镭生物科技有限公司19903857099; 19937938981 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
6 records
Compound notes
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