Indole, 3-((dimethylamino)methyl)-5-nitro-
Basic information
- CAS
3414-64-0- Standard SMILES
CN(C)Cc1c[nH]c2ccc([N+](=O)[O-])cc12- InChIKey
SVNVKGIWGOHXPW-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.10077667
Names & identifiers
- Preferred name
- Indole, 3-((dimethylamino)methyl)-5-nitro-
- IUPAC
- N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
- English name
- 5-Nitrogramine
- Molecular formula
- C11H13N3O2
- Molecular weight
- 219.24
Names & synonyms
3414-64-0INDOLE, 3-((DIMETHYLAMINO)METHYL)-5-NITRO-DTXSID10187730Indole, 3-[(dimethylamino)methyl]-5-nitro-RefChem:1087309DTXCID701102215-NitrogramineN,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamineN,N-Dimethyl-5-nitrotryptamineMFCD00544197N,N-dimethyl-5-nitro-1H-indole-3-methanaminedimethyl[(5-nitro-1H-indol-3-yl)methyl]amine
Show more names
RARECHEM AH BS 01243-(DIMETHYLAMINOMETHYL)-5-NITROINDOLE5-Nitro-3-dimethylaminomethyl-1H-indole3-((dimethylamino)methyl)-5-nitro-indol3-(Dimethylaminomethyl)-5-nitroindole,95%n,n-dimethyl-5-nitro-1h-indole-3-methanamin
MLS0026678501H-Indole-3-methanamine, N,N-dimethyl-5-nitro-NSC 56889BRN 02166923-((Dimethylamino)methyl)-5-nitroindoleNSC568893-[(dimethylamino)methyl]-5-nitro-1H-indoleOprea1_367827
Database identifiers
- CAS
3414-64-0- PubChem CID
- 18882
- DTXSID
DTXSID10187730- ChEMBL
CHEMBL1881648- Nikkaji
- J53.645H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 166 · 166-169°C
- Boiling point
- 377.9 · 377.9±27.0 °C(Predicted)
- Density
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- RTECS
- 7710000 · NL7710000
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- soluble in Chloroform, Dichloromethane, Methanol
- pka
- 15.25 · 15.25±0.30(Predicted)
- form
- Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesN,N-Dimethyl-5-nitrotryptamine (cas# 3414-64-0) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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