2-(1H-indol-1-yl)ethanamine
Basic information
- CAS
13708-58-2- Standard SMILES
NCCn1ccc2ccccc21- InChIKey
BXEFQUSYBZYTAE-UHFFFAOYSA-N- Molecular formula
- C10H12N2
- Average molar mass
- 160.22 g/mol
- Monoisotopic mass
- 160.10004839
Names & identifiers
- Preferred name
- 2-(1H-indol-1-yl)ethanamine
- IUPAC
- 2-indol-1-ylethanamine
- English name
- 2-(1H-Indol-1-yl)ethanamine
- Molecular formula
- C10H12N2
- Molecular weight
- 160.22
Names & synonyms
2-(1H-indol-1-yl)ethanamine13708-58-2DTXSID10293224RefChem:1060703DTXCID802443641h-indole-1-ethanamine2-indol-1-ylethanamine2-(1H-indol-1-yl)ethan-1-amine[2-(1H-Indol-1-yl)ethyl]amineMFCD03643872Isotryptamine2-(INDOL-1-YL)ETHYLAMINE
Show more names
IFLAB-BB F1386-0299CHEMBRDG-BB 4003276ASDI-INTER 500042895UKRORGSYN-BB BBV-10899981H-Indole-1-ethanamine (9CI, ACI)
NSC879531-(2-aminoethyl)indole2-Indol-1-yl-ethylamineF1386-0299SCHEMBL1120445SCHEMBL27382849BXEFQUSYBZYTAE-UHFFFAOYSA-NHMS1653G10
Database identifiers
- CAS
13708-58-2- PubChem CID
- 258690
- DTXSID
DTXSID10293224- EC Number
- 106-628-2
- Nikkaji
- J2.223.382C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 31 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 125 · 125-126 °C
- Boiling point
- 125 · 125-126 °C(Press: 0.75 Torr)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 9.9 · 9.90±0.10(Predicted)
- form
- solid
- InChI
- 1S/C10H12N2/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8,11H2
- InChIKey
- BXEFQUSYBZYTAE-UHFFFAOYSA-N
- SMILES
- NCCN1C=CC2=CC=CC=C12
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P280-P301+P310-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi,T
- 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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xi,T
- safety_code
- 26-39-45
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H318-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P280-P301+P310-P302+P352-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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