Basic information
- CAS
1484-85-1- Standard SMILES
NCCc1ccc2c(c1)OCO2- InChIKey
RRIRDPSOCUCGBV-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-ethanamine
- IUPAC
- 2-(1,3-benzodioxol-5-yl)ethanamine
- English name
- Homopiperonylamine
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
1484-85-13,4-Methylenedioxyphenethylamine1,3-benzodioxole-5-ethanamineDTXSID00163982RefChem:91262DTXCID5086473216-060-8HOMOPIPERONYLAMINE2-(1,3-benzodioxol-5-yl)ethanamineMethylenedioxyphenethylamine3,4-(Methylenedioxyphenyl)ethylamineMFCD00060509
Show more names
2-(benzo[d][1,3]dioxol-5-yl)ethan-1-amineDL-MDEA3,4-MDEAURORA KA-7750RARECHEM AL BW 0255Homopiperonylamine ,97%5-(2-AMinoethyl)benzodioxole
2-(Benzo[d][1,3]dioxol-5-yl)ethanamineCHEMBL420095F2J2U8J2G52-Benzo[1,3]dioxol-5-yl-ethylamineMethylenedioxyphenylethylamineDopamine Impurity 28Benzo-1,3-dioxole-5-ethylamineEINECS 216-060-8
Database identifiers
- CAS
1484-85-1- PubChem CID
- 73874
- DTXSID
DTXSID00163982- ChEMBL
CHEMBL420095- UNII
- F2J2U8J2G5
- EC Number
- 108-538-9、216-060-8
- Nikkaji
- J14.163A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 114 °C · 114 °C
- Boiling point
- 146 · 146-148°C/10 mm
- Density
- 1.225 · 1.2250
- refractive index
- 1.562 · 1.5620 (estimate)
- RTECS
- 9670000 · SH9670000
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform, Methanol
- pka
- 9.9 · 9.90±0.10(Predicted)
- form
- Liquid
- color
- Colorless to pale yellow
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C9H11NO2/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5H,3-4,6,10H2
- InChIKey
- RRIRDPSOCUCGBV-UHFFFAOYSA-N
- SMILES
- O1C2=CC=C(CCN)C=C2OC1
- CAS DataBase Reference
- 1484 · 1484-85-1(CAS DataBase Reference)
- FDA UNII
- 2 J2U8J2G5 · F2J2U8J2G5
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39-24/25
- RIDADR
- 2735 · UN2735
- WGK Germany
- 3 · WGK 3
- HazardClass
- 8 · 8
- HS Code
- 29213000 · 29213000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Eye Dam. 1
- 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
Danger
H314 (20%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Hazard information
Hazard Classes and Categories
Skin Corr. 1C (20%)
Eye Dam. 1 (100%)
Safety data
- wgk
- WGK 3
- ridadr
- UN2735
- hs_code
- 29213000
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-39-24/25
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- 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)
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesAn intermediate in the synthesis of pharmaceutical actives, intermediates and other fine chemicals
Uses3,4-(Methylenedioxyphenyl)ethylamine is a metabolite of Dopamine analogs.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
西安祥源植化生物技术有限公司13991954170 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
山东欣合新材料有限公司15665828542 15662672320 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]
苏州虞美医药科技有限公司199-5111-2435 19951112435 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
重庆吉程生物医药科技有限公司13509419891 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
武汉卡诺斯科技有限公司153-37111468 15337111468 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
凯试（上海）科技有限公司021-50135380 · [email protected]
北京翔宇恒天医药技术有限公司010-88755821 13911359480;18612220856
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
山东宸宜环保科技有限公司1856-0179988 13355310698
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
上海坤承实业有限公司15317029879 15317029879
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
Related reactions
267 records
Compound notes
Loading…