Basic information
- Standard SMILES
COc1ccc(CCN)cc1- InChIKey
LTPVSOCPYWDIFU-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- O-Methyltyramine
- IUPAC
- 2-(4-methoxyphenyl)ethanamine
- English name
- 4-Methoxyphenethylamine
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
4-Methoxyphenethylamine55-81-2Homoanisylaminep-Methoxyphenethylamine4-Methoxybenzeneethanamine4-MethoxyphenylethylamineO-MethyltyramineBenzeneethanamine, 4-methoxy-P-METHOXYPHENYLETHYLAMINE2-(4-Methoxyphenyl)Ethan-1-AmineTyramine, O-methyl-USAF EL-52
Show more names
2-(4-Methoxyphenyl)ethanamineMethyl Tyramine2-(4-METHOXYPHENYL)ETHYLAMINE4-MPEAusafel-52RARECHEM AL BW 0058
PHENETHYLAMINE, p-METHOXY-NSC 43687EINECS 200-245-5BRN 0508967DTXSID6058764NSC-436872-(4-methoxyphenyl)-ethylamineCHEBI:266039
Database identifiers
- CAS
2045-79-6、55-81-2- PubChem CID
- 4657
- DTXSID
DTXSID6058764- ChEMBL
CHEMBL101036- ChEBI
CHEBI:266039- UNII
- UCE8P23XWF
- EC Number
- 200-245-5、218-066-6
- Nikkaji
- J74.924I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97
Experimental & physicochemical properties
Kovats Retention Index1318.8；1335.7
Physicochemical properties
- Melting point
- 249 · 249-251°C
- Boiling point
- 138 · 138-140 °C20 mm Hg(lit.)
- Density
- 1.031 g/mL · 1.031 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.538(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- pka
- 9.96 · 9.96±0.10(Predicted)
- form
- liquid
- color
- light yellow
- BRN
- 508967 · 508967
- InChI
- InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
- InChIKey
- LTPVSOCPYWDIFU-UHFFFAOYSA-N
- SMILES
- C1(CCN)=CC=C(OC)C=C1
- CAS DataBase Reference
- 55 · 55-81-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 P23XWF · UCE8P23XWF
- NIST Chemistry Reference
- 4 · Benzeneethanamine, 4-methoxy-(55-81-2)
- EPA Substance Registry System
- 4 · Benzeneethanamine, 4-methoxy- (55-81-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C,T
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45-27
- RIDADR
- 2735 · UN 2735 8/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 7875000 · SH7875000
- F
- 10 · 10-23
- Hazard Note
- Toxic/Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29222900 · 29222900
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.9% (1 of 106) of reports.
Danger
H314 (99.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (38.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 106 reports by companies.；There are 3 notifications provided by 105 of 106 reports by companies with hazard statement code(s).；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
Regulatory Information
Status: Active Update: 30-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27340
2-(4-Methoxyphenyl)-ethylamine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Corr. 1C (99.1%)；Eye Dam. 1 (38.7%)
Skin Corr. 1B (100%)
Regulatory information
Regulatory Information
Status: Active Update: 30-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27340
2-(4-Methoxyphenyl)-ethylamine: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 10-23
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SH7875000
- ridadr
- UN 2735 8/PG 3
- hs_code
- 29222900
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,T
- hazard_note
- Toxic/Corrosive
- safety_code
- 26-36/37/39-45-27
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneethanamine, 4-methoxy-: ACTIVE
Applications
Uses4-Methoxyphenethylamine an inhibitor of the deamination of tyramine and tryptamine. It is intermediates of ritodrine. ritodrine is an adrenergic β2 receptor agonists used to prevent premature birth.
General Description4-Methoxyphenethylamine inhibits the monoamine oxidase-catalyzed deamination of both tyramine and tryptamine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南德信佳生物科技有限公司0531-82375886 13001715031 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
宁波奕睿生物科技有限公司15221000252 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
Syntor Fine Chemicals Ltd.+44 (0) 1928 579865 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
越林试剂021-62960152 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Changzhou Fullone Chemical Co., Ltd.+86-13328197671 +86-13861172460 · [email protected]
Additional notes
DefinitionChEBI: 4-methoxyphenylethylamine is a primary amino compound consisting of ethylamine having a 4-methoxyphenyl substituent at the 2-position. It derives from a hydride of a 2-phenylethylamine.
Related reactions
149 records
Linked notes
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