Basic information
- CAS
73198-03-5- Standard SMILES
CC1(C)NC(C(=O)O)Cc2c1[nH]c1ccccc21- InChIKey
CWGHZIOJFVTEPN-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117776
Names & identifiers
- Preferred name
- 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
- IUPAC
- 1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
- English name
- 1,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
- Molecular formula
- C14H16N2O2
- Molecular weight
- 244.29
Names & synonyms
73198-03-51,1-Dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid1,1-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acidNSC298845MLS000713269SMR0002727501,1-DIMETHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID1,1-dimethyl-1,2,3,4-tetrahydrobeta-carboline-3-carboxylic acidMFCD00277074Opera_ID_2101,1-Dimethyl-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid
Show more names
AURORA 2277AKOS BC-3179AKOS BBS-00001336IFLAB-BB F1371-0197TIMTEC-BB SBB011854OTAVA-BB BB5030340401
ChemDiv1_007988Cambridge id 5272229CBDivE_015319SCHEMBL3868822CHEMBL1311718HMS609L02DTXSID10316043HMS2627K16
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Boiling point
- 469.4 · 469.4±45.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- pka
- 2.29 · 2.29±0.40(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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