(2,3-dimethyl-1H-indol-5-yl)methanamine
Basic information
- CAS
5054-94-4- Standard SMILES
Cc1[nH]c2ccc(CN)cc2c1C- InChIKey
FHUICSFKWZVPSM-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.11569846
Names & identifiers
- Preferred name
- (2,3-dimethyl-1H-indol-5-yl)methanamine
- IUPAC
- (2,3-dimethyl-1H-indol-5-yl)methanamine
- English name
- C-(2,3-Dimethyl-1H-indol-5-yl)-methylamine
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24
Names & synonyms
(2,3-dimethyl-1H-indol-5-yl)methanamineRefChem:394523826-685-35054-94-4C-(2,3-Dimethyl-1H-indol-5-yl)-methylamine1-(2,3-dimethyl-1H-indol-5-yl)methanamineMFCD00509410(2,3-dimethylindol-5-yl)methylamine1H-Indole-5-methanamine, 2,3-dimethyl-CBI-BB ZERO/004811ChemDiv2_001340ALINDA 454
Show more names
AKOS BBS-00005865(2,3-dimethyl-1H-indole-5-yl)methylamine
Oprea1_404971Oprea1_609556SCHEMBL1913689SCHEMBL29586276TIMTEC-BB SBB000186DTXSID203525982,3-dimethyl-5-aminomethylindoleFHUICSFKWZVPSM-UHFFFAOYSA-N
Database identifiers
- CAS
5054-94-4- PubChem CID
- 730046
- DTXSID
DTXSID20352598- EC Number
- 826-685-3
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
- Hazard Codes
- Xi
- RIDADR
- 3259 · UN3259
- HazardClass
- IRRITANT
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P354+P338, P317, P330, 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. 4 (100%)
Safety data
- ridadr
- UN3259
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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