Basic information
- CAS
51784-03-3- Standard SMILES
c1ccc2oc(C3CCNCC3)nc2c1- InChIKey
YHVZEPIEDXIJJT-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- 2-(Piperidin-4-yl)-1,3-benzoxazole
- IUPAC
- 2-piperidin-4-yl-1,3-benzoxazole
- English name
- 2-Piperidin-4-yl-benzooxazole
- Molecular formula
- C12H14N2O
- Molecular weight
- 202.25
Names & synonyms
51784-03-32-(piperidin-4-yl)-1,3-benzoxazoleDTXSID10354369RefChem:254632DTXCID80305429809-402-82-(piperidin-4-yl)benzo[d]oxazole2-piperidin-4-yl-benzooxazole2-piperidin-4-yl-1,3-benzoxazole2-(4-piperidinyl)-1,3-benzoxazoleMFCD014758442-(4-piperidyl)benzoxazole
Show more names
AKOS BBS-00005830BUTTPARK 90\08-60CHEMBRDG-BB 4003380OTAVA-BB BB7020410137Benzoxazole, 2-(4-piperidinyl)-
2-(4-piperidyl)-1,3-benzoxazole2-(4-Piperidinyl)benzoxazoleZINC00252257, CID6941316, 51784-03-34-(Benzoxazol-2-yl)piperidineMLS0048202684-(2-Benzoxazolyl)piperidineSCHEMBL3734002-(piperidin-4-yl)benzoxazole
Database identifiers
- CAS
51784-03-3- PubChem CID
- 770461
- DTXSID
DTXSID10354369- ChEMBL
CHEMBL414227- EC Number
- 809-402-8
- Nikkaji
- J993.238K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 114 · 114-116°C
- Boiling point
- 331.6 · 331.6±35.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- pka
- 9.87 · 9.87±0.10(Predicted)
- form
- crystalline powder
- color
- Orange
- CAS DataBase Reference
- 51784 · 51784-03-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2934999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers29 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
CEG Chemical Science & Technology Co., Ltd.Mobile:13665161512
上海洪创医药科技有限公司18151128828 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
Related reactions
8 records
Compound notes
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