2H,3H,4H-pyrido[4,3-b][1,4]oxazine

HCID 21885950

Notes Reactions

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Basic information

CAS: 102226-41-5
Standard SMILES: c1cc2c(cn1)NCCO2
InChIKey: HKSOYMJNDHHYEI-UHFFFAOYSA-N
Molecular formula: C7H8N2O
Average molar mass: 136.15 g/mol
Monoisotopic mass: 136.06366288

Names & identifiers

Preferred name: 2H,3H,4H-pyrido[4,3-b][1,4]oxazine
IUPAC: 3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
English name: 2H-Pyrido[4,3-b]-1,4-oxazine,3,4-dihydro-(9CI)
Molecular formula: C7H8N2O
Molecular weight: 136.15

Names & synonyms

2H,3H,4H-pyrido[4,3-b][1,4]oxazine3,4-Dihydro-2H-pyrido[4,3-b]-1,4-oxazine2H,3H,4H-pyrido(4,3-b)(1,4)oxazine3,4-Dihydro-2H-pyrido(4,3-b)-1,4-oxazineRefChem:484014819-675-53,4-DIHYDRO-2H-PYRIDO[4,3-B][1,4]OXAZINE102226-41-5MFCD080627562H-Pyrido[4,3-b]-1,4-oxazine,3,4-dihydro-(9CI)SCHEMBL220251SCHEMBL1191190

Show more names

[102226-41-5]2H-Pyrido[4,3-b]-1,4-oxazine, 3,4-dihydro-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine oxalate2H-Pyrido[4,3-b]-1,4-oxazine,3,4-dihydro-(9CI) ISO 9001：2015 REACH

SCHEMBL2122521SCHEMBL4148152SCHEMBL17026938SCHEMBL18229966SCHEMBL20710979DTXSID90619448HKSOYMJNDHHYEI-UHFFFAOYSA-NAKOS006283986

Database identifiers

CAS: 102226-41-5
PubChem CID: 21885950
DTXSID: DTXSID90619448
EC Number: 819-675-5

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 34.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 118

Physicochemical properties

Density: 1.168 · 1.168
storage temp.: 2 · 2-8°C, protect from light
Appearance: Off-white to yellow Solid-liquid mixture
InChI: InChI=1S/C7H8N2O/c1-2-8-5-6-7(1)10-4-3-9-6/h1-2,5,9H,3-4H2
InChIKey: HKSOYMJNDHHYEI-UHFFFAOYSA-N
SMILES: O1CCNC2C=NC=CC1=2
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Suppliers39 total

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]

Shanghai Huici Pharmaceutical Technology Co., LTD+8615601812108 · [email protected]

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

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]

Related reactions

37 records

New reaction record

HRID 99730As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 125240As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 166664As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 190488As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 287862As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 670469As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 700542As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 701117As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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