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3610-36-4 molecular structure
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2-(6-methoxy-1H-indol-3-yl)ethan-1-amine

ChemBase ID: 130766
Molecular Formular: C11H14N2O
Molecular Mass: 190.24166
Monoisotopic Mass: 190.11061308
SMILES and InChIs

SMILES:
COc1ccc2c(c1)[nH]cc2CCN
Canonical SMILES:
NCCc1c[nH]c2c1ccc(c2)OC
InChI:
InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3
InChIKey:
VOCGEKMEZOPDFP-UHFFFAOYSA-N

Cite this record

CBID:130766 http://www.chembase.cn/molecule-130766.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(6-methoxy-1H-indol-3-yl)ethan-1-amine
IUPAC Traditional name
2-(6-methoxy-1H-indol-3-yl)ethanamine
Synonyms
6-Methoxytryptamine
2-(6-Methoxy-1H-indol-3-yl)ethanamine
2-(6-Methoxy-1H-indol-3-yl)-ethylamine
6-Methoxytryptamine
3-(2-Aminoethyl)-6-methoxyindole
3-(2-氨基乙基)-6-甲氧基吲哚
6-甲氧基色胺
CAS Number
3610-36-4
2736-21-2
EC Number
222-778-2
MDL Number
MFCD00005663
PubChem SID
24897160
162225044
PubChem CID
17654

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.080763  H Acceptors
H Donor LogD (pH = 5.5) -1.6782118 
LogD (pH = 7.4) -0.93309003  Log P 1.3287662 
Molar Refractivity 56.8361 cm3 Polarizability 23.224804 Å3
Polar Surface Area 51.04 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
yellow crystalline expand Show data source
Melting Point
146-147 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
99% expand Show data source
Grade
analytical standard expand Show data source
Empirical Formula (Hill Notation)
C11H14N2O expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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