CAS 5654-94-4 Octahydro-1H-pyrrolo[3,4-b]pyridine (HCID 5154241)

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Basic information

CAS: 5654-94-4
Standard SMILES: C1CNC2CNCC2C1
InChIKey: KSCPLKVBWDOSAI-UHFFFAOYSA-N
Molecular formula: C7H14N2
Average molar mass: 126.2 g/mol
Monoisotopic mass: 126.11569845

Names & identifiers

Preferred name: Octahydro-1H-pyrrolo[3,4-b]pyridine
IUPAC: 2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
English name: 1H-octahydropyrrolo[3,4-b]pyridine
Molecular formula: C7H14N2
Molecular weight: 126.2

Names & synonyms

5654-94-4octahydro-1H-pyrrolo[3,4-b]pyridineOctahydro-1H-pyrrolo(3,4-b)pyridineRefChem:3667581H-OCTAHYDROPYRROLO[3,4-B]PYRIDINE(S,S)-2,8-DIAZABICYCLO[4,3,0]NONANE2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridineMFCD06795498trans-Octahydro-1H-pyrrolo[3,4-b]pyridine158060-81-2(R,R)-2,8-diazabicyclo[4,3,0]nonaneDL-1,4-Diazabicyclo<4.3.0>nonane

Show more names

7-AzaindolizineMoxifloxacin Impurity 2101,4-DiazabicyclononanOctahydropyrrolopyrazinDL-1,4-Diazabicyclononane

2,8-DIAZABICYCLO[4.3.0]NONANE(4AR,7AR)-REL-OCTAHYDRO-1H-PYRROLO[3,4-B]PYRIDINESCHEMBL64396SCHEMBL337650SCHEMBL337651SCHEMBL337652SCHEMBL477175Octahydropyrrolo<1,2-a>pyrazin

Database identifiers

CAS: 5654-94-4
PubChem CID: 5154241
DTXSID: DTXSID001294232

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 24.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 103

Physicochemical properties

Boiling point: 198.5 · 198.5±8.0 °C(Predicted)
Density: 0.95 · 0.950±0.06 g/cm3(Predicted)
storage temp.: 0 · Store at 0-8 °C
pka: 11.11 · 11.11±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 280 · P280

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H317
Precautionary statements: P280

Chemistry & industry

Suppliers24 total

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]

Related reactions

16 records

New reaction record

HRID 36672As productuspto-grants-1995_05

HRID 133981As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 152457As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 195948As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 204662As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 289040As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 299844As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 320660As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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