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

HCID 21885950CAS 102226-41-5

基本情報

標準SMILES: c1cc2c(cn1)NCCO2
InChIKey: HKSOYMJNDHHYEI-UHFFFAOYSA-N
分子式: C7H8N2O
平均分子量: 136.15 g/mol
単同位体質量: 136.06366288

名称と識別子

優先名称: 2H,3H,4H-pyrido[4,3-b][1,4]oxazine
IUPAC: 3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
英語名: 2H-Pyrido[4,3-b]-1,4-oxazine,3,4-dihydro-(9CI)
分子式: C7H8N2O
分子量: 136.15

名称と別名

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

名称をさらに表示

[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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.6
極性表面積: 34.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 118

物理化学的性質

比重(密度): 1.168 · 1.168
貯蔵温度: 2 · 2-8°C, protect from light
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

安全と法規制

GHS分類

GHS Classification · 4 件

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.