Basic information
- CAS
68285-23-4- Standard SMILES
COc1ccccc1[C@@H](C)N- InChIKey
VENQOHAPVLVQKV-SSDOTTSWSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- (R)-1-(2-Methoxyphenyl)ethanamine
- IUPAC
- (1R)-1-(2-methoxyphenyl)ethanamine
- English name
- (R)-1-(2-Methoxyphenyl)ethylamine
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
(R)-1-(2-Methoxyphenyl)ethanamine68285-23-4(R)-1-(2-Methoxyphenyl)ethylamine(1R)-1-(2-methoxyphenyl)ethanamine(1R)-1-(2-methoxyphenyl)ethan-1-amineMFCD00671657(R)-1-(2-methoxyphenyl)ethan-1-amineSCHEMBL334556SCHEMBL29471011DTXSID90357393VENQOHAPVLVQKV-SSDOTTSWSA-N(1R)-1-(2-methoxyphenyl)ethylamine
Show more names
2-Methoxy-a-Methyl-(R)-2-Methoxy-α-methylbenzylamine(R)-o-Methoxy-alpha-phenethylamine(R)-(+)-2-METHOXY A-METHYLBENZYLAMINE(R)-2-Methoxy-α-methylbenzylamine
(R)-2-methoxy-alpha-methylbenzylamineAKOS015851742AS-36151SY258212CS-0000285EN300-87754F209078(R)-2-Methoxy-alpha-methylbenzylamine, ChiPros(R), produced by BASF, >=99.0%
Database identifiers
- CAS
68285-23-4- PubChem CID
- 853083
- DTXSID
DTXSID90357393- EC Number
- 662-799-8
- Nikkaji
- J735.526B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 118 °C/17mm · 118°C/17mm
- Density
- 1.003 · 1.003±0.06 g/cm3(Predicted)
- Flash point
- 118 °C/17mm · 118°C/17mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Soluble in dimethyl sulfoxide.
- form
- liquid
- pka
- 9.13 · 9.13±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Sensitive
- Air Sensitive
- InChI
- 1S/C9H13NO/c1-7(10)8-5-3-4-6-9(8)11-2/h3-7H,10H2,1-2H3/t7-/m1/s1
- InChIKey
- VENQOHAPVLVQKV-SSDOTTSWSA-N
- SMILES
- COc1ccccc1[C@@H](C)N
- UNSPSC Code
- 12352112 · 12352112
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 314 · H314-H331-H412-H318-H402
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P405-P501a-P261-P273-P280-P305+P351+P338-P310 · P260h-P301+P330+P331-P303+P361+P353-P405-P501a-P261-P273-P280-P305+P351+P338-P310
- Hazard Codes
- C
- Risk Statements
- 21 · 21/22-34-52/53-20
- Safety Statements
- 26 · 26-36/37/39-61-45
- RIDADR
- 2735 · 2735
- WGK Germany
- 3 · WGK 3
- HazardClass
- 8 · 8
- PackingGroup
- III
- Storage Class
- 6.1 D · 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard Classifications
- 3 InhalationAquatic · Acute Tox. 3 InhalationAquatic Chronic 3Skin Corr. 1B
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- WGK 3
- ridadr
- 2735
- risk_code
- 21/22-34-52/53-20
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- C
- safety_code
- 26-36/37/39-61-45
- hazard_class
- 8
- Storage Class
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- packing_group
- III
- Hazard statements
- H314-H331-H412-H318-H402
- Hazard Classifications
- Acute Tox. 3 InhalationAquatic Chronic 3Skin Corr. 1B
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P405-P501a-P261-P273-P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesThe derivatives of the compound, are used as a potential ligand in developing radioiodinated antagonists for in vivo imaging of 5-HT1A receptors.
Suppliers41 total
上海康恩博医药科技有限公司17510465506 · [email protected]
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
郑州格镭生物科技有限公司19903857099; 19937938981
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
南京友杰医药科技有限公司18860950986 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [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]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
天津星瀚生物科技有限公司13230698506 18698089028 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]
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杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
米诺化工有限公司0086-15313090952
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
重庆卡兰医药有限公司[email protected]
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
Related reactions
2 records
Compound notes
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