Basic information
- CAS
299-26-3- Standard SMILES
CC(N)Cc1c[nH]c2ccccc12- InChIKey
QSQQQURBVYWZKJ-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.11569846
Names & identifiers
- Preferred name
- (+-)-alpha-Methyltryptamine
- IUPAC
- 1-(1H-indol-3-yl)propan-2-amine
- English name
- 3-(2-Aminopropyl)indole
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24
Names & synonyms
alpha-MethyltryptamineIndopan299-26-3alpha-Methyl-beta-indoleethylamine1-(1H-Indol-3-yl)-2-propanaminealpha-Methyl-1H-indole-3-ethanaminealpha-Methyl-3-indoleethanamineINDOLE, 3-(2-AMINOPROPYL)-Ro 3-0926(+-)-alpha-MethyltryptaminealphaMTBIK35ACJ0Q
Show more names
U 14It-403(D)U 14164 EIt-290(dl)it-290(d,l)u-14164e(dl)
1H-Indole-3-ethanamine, alpha-methyl-164 ENSC-97069CHEBI:59020RefChem:790997206-073-73-(2-Aminopropyl)indole1-(1H-indol-3-yl)propan-2-amine
Database identifiers
- CAS
299-26-3、304-54-1- PubChem CID
- 9287
- DTXSID
DTXSID00861850- ChEMBL
CHEMBL30713- ChEBI
CHEBI:59020- UNII
- BIK35ACJ0Q
- EC Number
- 206-073-7
- Nikkaji
- J53.643A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 97 · 97-101 °C
- Boiling point
- 295.23 °C · 295.23°C (rough estimate)
- Density
- 0.9649 · 0.9649 (rough estimate)
- refractive index
- 1.621 · 1.6210 (estimate)
- storage temp.
- Poison room
- pka
- 17.22 · 17.22±0.30(Predicted)
- CAS DataBase Reference
- 299 · 299-26-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 35 ACJ0Q · BIK35ACJ0Q
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 330 · H330-H300-H310
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
- Hazard Codes
- T+
- Risk Statements
- 26 · 26/27/28
- Safety Statements
- 24 · 24/25-45-36/37/39-26-22
- RIDADR
- 2811 · 2811
- RTECS
- 4550000 · NL4550000
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29339980 · 29339980
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 22 mg/kg TXAPA9 4,547,62
- DEA Controlled Substances
- 7432 CSA · CSCN: 7432CSA SCH: Schedule INARC: No
Safety & regulation
Safety data
- rtecs
- NL4550000
- ridadr
- 2811
- hs_code
- 29339980
- Toxicity
- LD50 orl-rat: 22 mg/kg TXAPA9 4,547,62
- risk_code
- 26/27/28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 24/25-45-36/37/39-26-22
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H330-H300-H310
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
- DEA Controlled Substances
- CSCN: 7432CSA SCH: Schedule INARC: No
Chemistry & industry
Additional notes
DefinitionChEBI: A tryptamine derivative having a methyl substituent at the alpha-position.
Related reactions
24 records
Compound notes
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