Basic information
- CAS
76935-76-7- Standard SMILES
CCOc1cccc(CCN)c1- InChIKey
PBWUNLYMHNSAPQ-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- 2-(3-Ethoxyphenyl)ethan-1-amine
- IUPAC
- 2-(3-ethoxyphenyl)ethanamine
- English name
- 3-ETHOXYPHENETHYLAMINE
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
2-(3-Ethoxyphenyl)Ethan-1-AmineRefChem:455493674-197-276935-76-72-(3-ethoxyphenyl)ethanamine3-EthoxyphenethylamineBenzeneethanamine,3-ethoxy-3-EthoxybenzeneethanamineMFCD013108193-ethoxyphenethyl-amine2-(3-ethoxyphenyl)ethylamineSCHEMBL146849
Show more names
RARECHEM AL BW 0363Benzeneethanamine, 3-ethoxy-
SCHEMBL308208452-(3-Ethoxy-phenyl)-ethylamineDTXSID40374479PBWUNLYMHNSAPQ-UHFFFAOYSA-NBDA93576AKOS005292520CS-0100893ST51041900
Database identifiers
- CAS
76935-76-7- PubChem CID
- 2758765
- DTXSID
DTXSID40374479- EC Number
- 674-197-2
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 93 °C · 93°C 5mm
- Density
- 1 · 1,01 g/cm3
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331-H341
- Precautionary statements
- 201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
- Hazard Codes
- Xi,C
- Risk Statements
- 34 · 34-41
- Safety Statements
- 26 · 26-36/37/39-39
- RIDADR
- 2734 · 2734
- HazardClass
- IRRITANT, CORROSIVE
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Corr. 1B (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)
Safety data
- ridadr
- 2734
- risk_code
- 34-41
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- Xi,C
- safety_code
- 26-36/37/39-39
Chemistry & industry
Suppliers11 total
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [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]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
8 records
Compound notes
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