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5-Fluorogramine

HCID 9576
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Basic information

CAS
343-90-8
Standard SMILES
CN(C)Cc1c[nH]c2ccc(F)cc12
InChIKey
QNCNSISRJMCGPK-UHFFFAOYSA-N
Molecular formula
C11H13FN2
Average molar mass
192.23 g/mol
Monoisotopic mass
192.10627664

Names & identifiers

Preferred name
5-Fluorogramine
IUPAC
1-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine
English name
5-FLUOROGRAMINE
Molecular formula
C11H13FN2
Molecular weight
192.23

Names & synonyms

5-Fluorogramine343-90-81-(5-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine3-((Dimethylamino)methyl)-5-fluoroindoleINDOLE, 3-(DIMETHYLAMINO)METHYL-5-FLUORO-NSC 88621AM52C35PV7BRN 0160256NSC-886211H-Indole-3-methanamine, 5-fluoro-N,N-dimethyl-DTXSID401878645-Fluoro-N,N-dimethyl-1H-indole-3-methanamine
Show more names
5-Fluorogramine 98%3-(dimethylamino)methyl-5-fluoro-indol5-FLUORO-3-DIMETHYLAMINOMETHYL-1H-INDOLE3-(Dimethylaminomethyl)-5-fluoro-1H-indole5-fluoro-n,n-dimethyl-1h-indole-3-methanamin(5-FLUORO-1H-INDOL-3-YLMETHYL)-DIMETHYL-AMINE
5-22-10-00034 (Beilstein Handbook Reference)RefChem:535980DTXCID001103551H-Indole-3-methanamine, 5-fluoro-N,N-dimethyl-(9CI)MFCD000227315-fluoro-3-(dimethylaminomethyl)indole[(5-fluoro-1H-indol-3-yl)methyl]dimethylamine[(5-fluoroindol-3-yl)methyl]dimethylamine

Database identifiers

CAS
343-90-8
PubChem CID
9576
DTXSID
DTXSID40187864
UNII
AM52C35PV7
EC Number
671-595-8
Nikkaji
J41.047K

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
19 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
196

Physicochemical properties

Melting point
145 · 145-149°C
storage temp.
2 · 2-8°C(protect from light)
Appearance
White to off-white Solid
CAS DataBase Reference
343 · 343-90-8(CAS DataBase Reference)
FDA UNII
52 C35PV7 · AM52C35PV7
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
HS Code
2933998090 · 2933998090

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P280-P305+P351+P338-P310

Chemistry & industry

Upstream & downstream products

Upstream raw materials

5-FluoroindoleFormaldehydeDimethylamine

Downstream products

5-FLUORO-DL-TRYPTOPHAN

Suppliers

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Related reactions

5 records
New reaction record
HRID 268460 reaction equation
HRID 268460As reactantuspto-grants-1976_03
HRID 305036 reaction equation
HRID 305036As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 894274 reaction equation
HRID 894274As reactantuspto-grants-1981_08
HRID 894319 reaction equation
HRID 894319As reactantuspto-grants-1981_08
HRID 2382045 reaction equation
HRID 2382045As reactantuspto-grants-2012_09

Compound notes

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