1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-2,8-dimethyl-

HCID 209291

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 19686-05-6
Standard SMILES: Cc1ccc2[nH]c3c(c2c1)CN(C)CC3
InChIKey: MUZFLDUALLSEBH-UHFFFAOYSA-N
Molecular formula: C13H16N2
Average molar mass: 200.28 g/mol
Monoisotopic mass: 200.13134852

Names & identifiers

Preferred name: 1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-2,8-dimethyl-
IUPAC: 2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
English name: 2,8-Dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Molecular formula: C13H16N2
Molecular weight: 200.28

Names & synonyms

2,8-Dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole19686-05-6BRN 09580961H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2,8-dimethyl-2,3,4,5-Tetrahydro-2,8-dimethyl-1H-pyrido(4,3-b)indole1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-2,8-dimethyl-DTXSID701733515-23-07-00381 (Beilstein Handbook Reference)2,3,4,5-tetrahydro-2,8-dimethyl-1H-pyrido[4,3-b]indole2,8-dimethyl-2,3,4,5-tetrahydro-1h-pyrido(4,3-b)indoleRefChem:439154DTXCID9095842

Show more names

SBB009260DiMebon IIBAS 01530386AKOS B006613Oprea1_561845Oprea1_301007CBDivE_010708

700-395-62,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indoleDEHYDROSTOBADINEMFCD004525332,8-Dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]-indoleProbes1_000106Probes2_000324Cambridge id 5161544

Database identifiers

CAS: 19686-05-6
PubChem CID: 209291
DTXSID: DTXSID70173351
ChEMBL: CHEMBL303192
EC Number: 700-395-6
Nikkaji: J85.827G

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 19 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 241

Physicochemical properties

Melting point: 98 · 98-100 °C
Boiling point: 342.1 · 342.1±37.0 °C(Predicted)
Density: 1.137 · 1.137±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 17.59 · 17.59±0.20(Predicted)
Appearance: Yellow to brown Solid
InChI: InChI=1S/C13H16N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,14H,5-6,8H2,1-2H3
InChIKey: MUZFLDUALLSEBH-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(C)C=C2)C2CN(C)CCC1=2
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HazardClass: IRRITANT

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

Uses2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

Upstream & downstream products

Downstream products

dimebolin

Suppliers62 total

上海康恩博医药科技有限公司17510465506 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

475 records

New reaction record

HRID 97088As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 111744As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 121006As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 136643As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 163052As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 168723As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 181937As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 185228As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

Loading…