Basic information
- CAS
15741-79-4- Standard SMILES
c1ccc(CNCCc2c[nH]c3ccccc23)cc1- InChIKey
PRRZWJAGZHENJJ-UHFFFAOYSA-N- Molecular formula
- C17H18N2
- Average molar mass
- 250.34 g/mol
- Monoisotopic mass
- 250.14699858
Names & identifiers
- Preferred name
- N-Benzyltryptamine
- IUPAC
- N-benzyl-2-(1H-indol-3-yl)ethanamine
- English name
- N-benzyl-1H-indole-3-ethylamine
- Molecular formula
- C17H18N2
- Molecular weight
- 250.34
Names & synonyms
15741-79-4N-Benzyl-1H-indole-3-ethylaminen-benzyltryptamineDTXSID00166256RefChem:1091627DTXCID6088747239-832-6N-benzyl-2-(1H-indol-3-yl)ethanamineBenzyl-[2-(1H-indol-3-yl)-ethyl]-amine(2-Indol-3-ylethyl)benzylaminebenzyl-[2-(1 h-indol-3-yl)-ethyl]-amineN-Benzyl-2-(1H-indol-3-yl)ethan-1-amine
Show more names
N-Benzyl-1H-indole-3-ethanamine3-[2-(Benzylamino)ethyl]-1H-indole1H-Indole-3-ethanamine, N-(phenylmethyl)-
n-benzyl-n-(2-(1h-indol-3-yl)ethyl)amineN-benzyl-tryptamineEINECS 239-832-6N-(Phenylmethyl)-1H-indole-3-ethanamine1H-Indole-3-ethanamine,N-(phenylmethyl)-ChemDiv2_003675MLS001209111SCHEMBL830201
Database identifiers
- CAS
15741-79-4- PubChem CID
- 45592
- DTXSID
DTXSID00166256- ChEMBL
CHEMBL1423367- UNII
- ZX482LU2G7
- EC Number
- 239-832-6
- Nikkaji
- J248.749G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 260
Experimental & physicochemical properties
Solubility37.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 116 · 116-117 °C(Solv: benzene (71-43-2))
- Boiling point
- 441.2 · 441.2±25.0 °C(Predicted)
- Density
- 1.134 · 1.134±0.06 g/cm3(Predicted)
- pka
- 17.19 · 17.19±0.30(Predicted)
Chemistry & industry
Suppliers2 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
Loading…