Basic information
- CAS
134870-62-5- Standard SMILES
CCOC1=N[C@@H](C(C)C)C(OCC)=NC1- InChIKey
HRAZLOIRFUQOPL-JTQLQIEISA-N- Molecular formula
- C11H20N2O2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.15247788
Names & identifiers
- Preferred name
- (S)-2,5-Dihydro-3,6-diethoxy-2-isopropylpyrazine
- IUPAC
- (2S)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine
- English name
- (S)-2,5-Dihydro-3,6-diethoxy-2-isopropylpyrazine
- Molecular formula
- C11H20N2O2
- Molecular weight
- 212.29
Names & synonyms
134870-62-5(S)-2,5-Dihydro-3,6-diethoxy-2-isopropylpyrazineDTXSID30452159RefChem:211029DTXCID90402978(S)-3,6-diethoxy-2-isopropyl-2,5-dihydropyrazine(2S)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine(2s)-3,6-diethoxy-2-(propan-2-yl)-2,5-dihydropyrazineMFCD09908235(2s)-3,6-diethoxy-2,5-dihydro-2-isopropylpyrazinePyrazine, 3,6-diethoxy-2,5-dihydro-2-(1-methylethyl)-, (2S)-(2S)-3,6-diethoxy-2-isopropyl-2,5-dihydropyrazine
Show more names
(S)-3,6-diethoxy-2-isopropyl-2,5-(3S)-3,6-dihydro-2,5-diethoxy-3-isopropylpyrazinePyrazine,6-diethoxy-2,5-dihydro-2-(1-Methylethyl)-,(2S)
(2S)-3,6-Diethoxy-2,5-dihydro-2-(prop-2-yl)pyrazine(s)-3,6-diethoxy-2,5-dihydro-2-isopropylpyrazine(S)-2, 5-Dihydro-3, 6-diethoxy-2-isopropylpyrazineSCHEMBL1770651HRAZLOIRFUQOPL-JTQLQIEISA-N(s)-2, 5-dihydro-3, 6-diethoxy-2-isopropylpyrazine, 98+%AKOS015838715pyrazine, 3,6-diethoxy-2,5-dihydro-2-(1-methylethyl)-, (2s)- (9ci)
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 282 · 282.0±33.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.74 · 6.74±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers38 total
成都彼样生物科技有限公司18108052721 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
深圳虹彩祥根生物科技有限公司+86-0755-89668383 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
杭州东帆化学有限公司86-0571-85151182
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
台州南峰药物研究所[email protected] 18616377689 · [email protected]
Related reactions
2 records
Compound notes
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