Basic information
- CAS
121734-64-3- Standard SMILES
CC(N)c1ccc2c(c1)OCO2- InChIKey
ZWBXYAKHFVPCBF-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 3,4-Methylenedioxyphenyl-1-ethanamine
- IUPAC
- 1-(1,3-benzodioxol-5-yl)ethanamine
- English name
- 1-Benzo[1,3]dioxol-5-yl-ethylamine
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
121734-64-3Mdm1EA3,4-Methylenedioxyphenyl-1-ethanamineRefChem:912641-(1,3-benzodioxol-5-yl)ethanamine1-(2H-1,3-benzodioxol-5-yl)ethan-1-amineMFCD026566611,3-Benzodioxole-5-methanamine, alpha-methyl-1-(1,3-Benzodioxol-5-yl)ethylamine1-(benzo[d][1,3]dioxol-5-yl)ethanamine1-benzo[1,3]dioxol-5-yl-ethylamine1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)ethylamine
Show more names
AKOS B014647ART-CHEM-BB B0146471-(3,4-Methylenedioxyphenyl)ethylamine1-(1,3-Benzodioxol-5-yl)ethylamine 98%
alpha-Methyl-1,3-benzodioxole-5-methanamine1,3-Benzodioxole-5-methanamine,|A-methyl-SCHEMBL1254034DTXSID00923947ALBB-000039SBB020945STK312911AKOS000123104
Database identifiers
- CAS
121734-64-3- PubChem CID
- 129498
- DTXSID
DTXSID00923947- Nikkaji
- J3.668.805J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 260.915 · 260.915±29.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Store at Room Tem.
- pka
- 9.46 · 9.460±0.40(predicted)
- Appearance
- off-white powder
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers13 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [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]
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD
Related reactions
5 records
Compound notes
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