Basic information
- CAS
496-42-4- Standard SMILES
NCCc1cc2ccccc2[nH]1- InChIKey
WRAUXDQDRDJTKM-UHFFFAOYSA-N- Molecular formula
- C10H12N2
- Average molar mass
- 160.22 g/mol
- Monoisotopic mass
- 160.10004839
Names & identifiers
- Preferred name
- 2-(1H-indol-2-yl)ethan-1-amine
- IUPAC
- 2-(1H-indol-2-yl)ethanamine
- English name
- 2-(2-Aminoethyl)indole
- Molecular formula
- C10H12N2
- Molecular weight
- 160.22
Names & synonyms
1H-Indole-2-ethanamine2-(1H-indol-2-yl)ethan-1-amineRefChem:451450877-855-92-(1H-indol-2-yl)ethanamine496-42-42-(1H-Indol-2-yl)-ethylamine2-(2-Aminoethyl)indoleMFCD05181726C02548indolethylamine2-(2-Indolyl)ethanamine
Show more names
AKOS BC-0299AKOS BBS-000044632-(1H-Indol-2-yl)CBI-BB ZERO/008135TIMTEC-BB SBB002734CHEMBRDG-BB 4100111RARECHEM AL BW 11122-(2-Aminoethyl)-1H-indole
2-(2-aminoethyl) indoleSureCN6535302-(indol-2-yl)ethylamineSCHEMBL653529SCHEMBL653530SCHEMBL6165439CHEMBL4517417DTXSID10331438
Database identifiers
- CAS
496-42-4- PubChem CID
- 439752
- DTXSID
DTXSID10331438- ChEMBL
CHEMBL4517417- EC Number
- 877-855-9
- Nikkaji
- J79.634D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 100 · 100-101 °C
- Boiling point
- 342.5 · 342.5±17.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- solid
- pka
- 17.36 · 17.36±0.30(Predicted)
- InChI
- InChI=1S/C10H12N2/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7,12H,5-6,11H2
- InChIKey
- WRAUXDQDRDJTKM-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C=C1CCN
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- Xi
- Risk Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Suppliers28 total
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
ChemeGen 中国18818260767 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Related reactions
4 records
Compound notes
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